7H7T
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![BU of 7h7t by Molmil](/molmil-images/mine/7h7t) | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z385370362 (CHIKV_MacB-x0969) | Descriptor: | (2,3-dihydro-1-benzofuran-5-yl)methanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H8A
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![BU of 7h8a by Molmil](/molmil-images/mine/7h8a) | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z3225843273 (CHIKV_MacB-x1139) | Descriptor: | 1~{H}-pyrazol-5-ylmethanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H8K
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![BU of 7h8k by Molmil](/molmil-images/mine/7h8k) | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z56791928 (CHIKV_MacB-x1203) | Descriptor: | 1-methyl-1H-benzimidazol-2-amine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H90
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![BU of 7h90 by Molmil](/molmil-images/mine/7h90) | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1378432729 (CHIKV_MacB-x1337) | Descriptor: | 1-benzofuran-2-sulfonamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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7H9C
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![BU of 7h9c by Molmil](/molmil-images/mine/7h9c) | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z31721188 (CHIKV_MacB-x1421) | Descriptor: | (3-hydroxyphenyl)(morpholin-4-yl)methanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F. | Deposit date: | 2024-04-26 | Release date: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain To Be Published
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4CXA
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![BU of 4cxa by Molmil](/molmil-images/mine/4cxa) | Crystal structure of the human CDK12-cyclin K complex bound to AMPPNP | Descriptor: | CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | Authors: | Dixon Clarke, S.E, Elkins, J.M, Pike, A.C.W, Nowak, R, Goubin, S, Mahajan, R.P, Kopec, J, Froese, S, Tallant, C, Carpenter, E.P, Mackenzie, A, Faust, B, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2014-04-04 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding. Sci.Rep., 5, 2015
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2C3I
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![BU of 2c3i by Molmil](/molmil-images/mine/2c3i) | CRYSTAL STRUCTURE OF HUMAN PIM1 IN COMPLEX WITH IMIDAZOPYRIDAZIN I | Descriptor: | 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, PIMTIDE, PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1 | Authors: | Philippakopoulos, P, Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K, Weigelt, J. | Deposit date: | 2005-10-07 | Release date: | 2005-11-01 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Analysis Identifies Imidazo[1,2- B]Pyridazines as Pim Kinase Inhibitors with in Vitro Antileukemic Activity. Cancer Res., 67, 2007
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2C7S
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![BU of 2c7s by Molmil](/molmil-images/mine/2c7s) | Crystal structure of human protein tyrosine phosphatase kappa at 1.95A resolution | Descriptor: | ACETATE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE KAPPA | Authors: | Debreczeni, J.E, Ugochukwu, E, Eswaran, J, Barr, A, Das, S, Burgess, N, Gileadi, O, Longman, E, von Delft, F, Knapp, S, Sundstron, M, Arrowsmith, C, Weigelt, J, Edwards, A. | Deposit date: | 2005-11-28 | Release date: | 2007-01-02 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The crystal structure of human receptor protein tyrosine phosphatase kappa phosphatase domain 1. Protein Sci., 15, 2006
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2C43
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![BU of 2c43 by Molmil](/molmil-images/mine/2c43) | STRUCTURE OF AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE- PHOSPHOPANTETHEINYL TRANSFERASE IN COMPLEX WITH COENZYME A | Descriptor: | AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE-PHOSPHOPANTETHEINYL TRANSFERASE, CHLORIDE ION, COENZYME A, ... | Authors: | Bunkoczi, G, Wu, X, Dubinina, E, Johansson, C, Smee, C, Turnbull, A, von Delft, F, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Oppermann, U. | Deposit date: | 2005-10-14 | Release date: | 2005-10-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Mechanism and substrate recognition of human holo ACP synthase. Chem. Biol., 14, 2007
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2C30
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![BU of 2c30 by Molmil](/molmil-images/mine/2c30) | Crystal Structure Of The Human P21-Activated Kinase 6 | Descriptor: | CHLORIDE ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE PAK 6 | Authors: | Filippakopoulos, P, Berridge, G, Bray, J, Burgess, N, Colebrook, S, Das, S, Eswaran, J, Gileadi, O, Papagrigoriou, E, Savitsky, P, Smee, C, Turnbull, A, Sundstrom, M, Arrowsmith, C, Weigelt, J, Edwards, A, von Delft, F, Knapp, S. | Deposit date: | 2005-10-02 | Release date: | 2006-02-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks. Structure, 15, 2007
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2BVA
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![BU of 2bva by Molmil](/molmil-images/mine/2bva) | Crystal structure of the human P21-activated kinase 4 | Descriptor: | P21-ACTIVATED KINASE 4 | Authors: | Debreczeni, J.E, Bunkoczi, G, Eswaran, J, Filippakopoulos, P, Das, S, Fedorov, O, Sundstrom, M, Arrowsmith, C, Edwards, A, von Delft, F, Knapp, S. | Deposit date: | 2005-06-23 | Release date: | 2005-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks. Structure, 15, 2007
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7FV4
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![BU of 7fv4 by Molmil](/molmil-images/mine/7fv4) | PanDDA analysis group deposition -- PHIP in complex with Z44602341 | Descriptor: | N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein | Authors: | Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F. | Deposit date: | 2023-03-09 | Release date: | 2023-03-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | PanDDA analysis group deposition To Be Published
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2B49
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![BU of 2b49 by Molmil](/molmil-images/mine/2b49) | Crystal Structure of the Catalytic Domain of Protein Tyrosine Phosphatase, non-receptor Type 3 | Descriptor: | protein tyrosine phosphatase, non-receptor type 3 | Authors: | Ugochukwu, E, Arrowsmith, C, Barr, A, Bunkoczi, G, Das, S, Debreczeni, J, Edwards, A, Eswaran, J, Knapp, S, Sundstrom, M, Turnbull, A, von Delft, F, Weigelt, J, Structural Genomics Consortium (SGC) | Deposit date: | 2005-09-23 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Large-scale structural analysis of the classical human protein tyrosine phosphatome. Cell(Cambridge,Mass.), 136, 2009
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4BW5
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![BU of 4bw5 by Molmil](/molmil-images/mine/4bw5) | Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1) | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CADMIUM ION, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, ... | Authors: | Pike, A.C.W, Dong, Y.Y, Dong, L, Quigley, A, Shrestha, L, Mukhopadhyay, S, Strain-Damerell, C, Goubin, S, Grieben, M, Shintre, C.A, Mackenzie, A, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N, Carpenter, E.P. | Deposit date: | 2013-06-30 | Release date: | 2013-07-31 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | K2P Channel Gating Mechanisms Revealed by Structures of Trek-2 and a Complex with Prozac Science, 347, 2015
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7GOR
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![BU of 7gor by Molmil](/molmil-images/mine/7gor) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z2273972081 | Descriptor: | (6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | PanDDA analysis group deposition To Be Published
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4CGZ
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![BU of 4cgz by Molmil](/molmil-images/mine/4cgz) | Crystal structure of the Bloom's syndrome helicase BLM in complex with DNA | Descriptor: | 5'-D(*AP*GP*CP*GP*TP*CP*GP*AP*GP*AP*TP*CP)-3', 5'-D(*GP*AP*TP*CP*TP*CP*GP*AP*CP*GP*CP*TP*CP*DT *CP*CP*CP)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Newman, J.A, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O. | Deposit date: | 2013-11-27 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal Structure of the Bloom'S Syndrome Helicase Indicates a Role for the Hrdc Domain in Conformational Changes. Nucleic Acids Res., 43, 2015
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2FLS
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![BU of 2fls by Molmil](/molmil-images/mine/2fls) | Crystal structure of Human Glutaredoxin 2 complexed with glutathione | Descriptor: | GLUTATHIONE, Glutaredoxin-2 | Authors: | Johansson, C, Smee, C, Kavanagh, K.L, Debreczeni, J, von Delft, F, Gileadi, O, Arrowsmith, C, Weigelt, J, Edwards, A, Sundstrom, M, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2006-01-06 | Release date: | 2006-01-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystal structure of Human Glutaredoxin 2 complexed with glutathione To be Published
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7GQR
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![BU of 7gqr by Molmil](/molmil-images/mine/7gqr) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z235343929 | Descriptor: | 2-chloro-1,3-benzoxazole, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GO6
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![BU of 7go6 by Molmil](/molmil-images/mine/7go6) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1203586731 | Descriptor: | 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GPD
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![BU of 7gpd by Molmil](/molmil-images/mine/7gpd) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z57472297 | Descriptor: | 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GOE
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![BU of 7goe by Molmil](/molmil-images/mine/7goe) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1342868616 | Descriptor: | 1-(diphenylmethyl)azetidin-3-ol, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GQP
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![BU of 7gqp by Molmil](/molmil-images/mine/7gqp) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198152494 | Descriptor: | 1H-imidazole-5-carbonitrile, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GQ4
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![BU of 7gq4 by Molmil](/molmil-images/mine/7gq4) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z56761437 | Descriptor: | 5-methyl-1H-tetrazole, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GQO
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![BU of 7gqo by Molmil](/molmil-images/mine/7gqo) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z3227118860 | Descriptor: | 5-iodo-1H-pyrazole, Protease 3C | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | PanDDA analysis group deposition To Be Published
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7GOO
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![BU of 7goo by Molmil](/molmil-images/mine/7goo) | PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1980894300 | Descriptor: | Protease 3C, [4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol | Authors: | Lithgo, R.M, Fairhead, M, Koekemoer, L, Aschenbrenner, J.C, Balcomb, B.H, Godoy, A.S, Marples, P.G, Ni, X, Tomlinson, C.W.E, Thompson, W, Wild, C, Fearon, D, Walsh, M.A, von Delft, F. | Deposit date: | 2023-08-24 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | PanDDA analysis group deposition To Be Published
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