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PDB: 4700 件
7H7T
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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)
分子名称: (2,3-dihydro-1-benzofuran-5-yl)methanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者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.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8A
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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)
分子名称: 1~{H}-pyrazol-5-ylmethanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者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.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H8K
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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)
分子名称: 1-methyl-1H-benzimidazol-2-amine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者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.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H90
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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)
分子名称: 1-benzofuran-2-sulfonamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者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.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H9C
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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)
分子名称: (3-hydroxyphenyl)(morpholin-4-yl)methanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
著者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.
登録日2024-04-26
公開日2024-05-29
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
4CXA
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BU of 4cxa by Molmil
Crystal structure of the human CDK12-cyclin K complex bound to AMPPNP
分子名称: CYCLIN-DEPENDENT KINASE 12, CYCLIN-K, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
著者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.
登録日2014-04-04
公開日2014-05-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Structures of the Cdk12/Cyck Complex with AMP-Pnp Reveal a Flexible C-Terminal Kinase Extension Important for ATP Binding.
Sci.Rep., 5, 2015
2C3I
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BU of 2c3i by Molmil
CRYSTAL STRUCTURE OF HUMAN PIM1 IN COMPLEX WITH IMIDAZOPYRIDAZIN I
分子名称: 1-(3-{6-[(CYCLOPROPYLMETHYL)AMINO]IMIDAZO[1,2-B]PYRIDAZIN-3-YL}PHENYL)ETHANONE, PIMTIDE, PROTO-ONCOGENE SERINE THREONINE PROTEIN KINASE PIM1
著者Philippakopoulos, P, Knapp, S, Debreczeni, J, Bullock, A, von Delft, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Guo, K, Weigelt, J.
登録日2005-10-07
公開日2005-11-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Analysis Identifies Imidazo[1,2- B]Pyridazines as Pim Kinase Inhibitors with in Vitro Antileukemic Activity.
Cancer Res., 67, 2007
2C7S
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BU of 2c7s by Molmil
Crystal structure of human protein tyrosine phosphatase kappa at 1.95A resolution
分子名称: ACETATE ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE KAPPA
著者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.
登録日2005-11-28
公開日2007-01-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The crystal structure of human receptor protein tyrosine phosphatase kappa phosphatase domain 1.
Protein Sci., 15, 2006
2C43
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STRUCTURE OF AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE- PHOSPHOPANTETHEINYL TRANSFERASE IN COMPLEX WITH COENZYME A
分子名称: AMINOADIPATE-SEMIALDEHYDE DEHYDROGENASE-PHOSPHOPANTETHEINYL TRANSFERASE, CHLORIDE ION, COENZYME A, ...
著者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.
登録日2005-10-14
公開日2005-10-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Mechanism and substrate recognition of human holo ACP synthase.
Chem. Biol., 14, 2007
2C30
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BU of 2c30 by Molmil
Crystal Structure Of The Human P21-Activated Kinase 6
分子名称: CHLORIDE ION, PHOSPHATE ION, SERINE/THREONINE-PROTEIN KINASE PAK 6
著者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.
登録日2005-10-02
公開日2006-02-08
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007
2BVA
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BU of 2bva by Molmil
Crystal structure of the human P21-activated kinase 4
分子名称: P21-ACTIVATED KINASE 4
著者Debreczeni, J.E, Bunkoczi, G, Eswaran, J, Filippakopoulos, P, Das, S, Fedorov, O, Sundstrom, M, Arrowsmith, C, Edwards, A, von Delft, F, Knapp, S.
登録日2005-06-23
公開日2005-07-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal Structures of the P21-Activated Kinases Pak4, Pak5, and Pak6 Reveal Catalytic Domain Plasticity of Active Group II Paks.
Structure, 15, 2007
7FV4
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BU of 7fv4 by Molmil
PanDDA analysis group deposition -- PHIP in complex with Z44602341
分子名称: N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
著者Grosjean, H, Tomlinson, C, Bradshaw, W.J, Koekemoer, L, Krojer, T, Fearon, D, Biggin, P.C, von Delft, F.
登録日2023-03-09
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献PanDDA analysis group deposition
To Be Published
2B49
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BU of 2b49 by Molmil
Crystal Structure of the Catalytic Domain of Protein Tyrosine Phosphatase, non-receptor Type 3
分子名称: protein tyrosine phosphatase, non-receptor type 3
著者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)
登録日2005-09-23
公開日2005-10-04
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Large-scale structural analysis of the classical human protein tyrosine phosphatome.
Cell(Cambridge,Mass.), 136, 2009
4BW5
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BU of 4bw5 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK2 (K2P10.1)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CADMIUM ION, POTASSIUM CHANNEL SUBFAMILY K MEMBER 10, ...
著者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.
登録日2013-06-30
公開日2013-07-31
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献K2P Channel Gating Mechanisms Revealed by Structures of Trek-2 and a Complex with Prozac
Science, 347, 2015
7GOR
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BU of 7gor by Molmil
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z2273972081
分子名称: (6S)-4-(3-fluoropyridin-2-yl)-6-methylpiperazin-2-one, Protease 3C
著者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.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献PanDDA analysis group deposition
To Be Published
4CGZ
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Crystal structure of the Bloom's syndrome helicase BLM in complex with DNA
分子名称: 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, ...
著者Newman, J.A, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2013-11-27
公開日2013-12-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structure of the Bloom'S Syndrome Helicase Indicates a Role for the Hrdc Domain in Conformational Changes.
Nucleic Acids Res., 43, 2015
2FLS
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BU of 2fls by Molmil
Crystal structure of Human Glutaredoxin 2 complexed with glutathione
分子名称: GLUTATHIONE, Glutaredoxin-2
著者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)
登録日2006-01-06
公開日2006-01-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of Human Glutaredoxin 2 complexed with glutathione
To be Published
7GQR
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BU of 7gqr by Molmil
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z235343929
分子名称: 2-chloro-1,3-benzoxazole, Protease 3C
著者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.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GO6
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1203586731
分子名称: 1-[(4S)-imidazo[1,2-a]pyridin-7-yl]methanamine, Protease 3C
著者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.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GPD
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BU of 7gpd by Molmil
PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z57472297
分子名称: 1-[2-methyl-1,3-bis(oxidanyl)propan-2-yl]-3-phenyl-urea, Protease 3C
著者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.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GOE
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1342868616
分子名称: 1-(diphenylmethyl)azetidin-3-ol, Protease 3C
著者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.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GQP
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1198152494
分子名称: 1H-imidazole-5-carbonitrile, Protease 3C
著者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.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GQ4
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z56761437
分子名称: 5-methyl-1H-tetrazole, Protease 3C
著者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.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GQO
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z3227118860
分子名称: 5-iodo-1H-pyrazole, Protease 3C
著者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.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7GOO
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PanDDA analysis group deposition -- Crystal Structure of Enterovirus D68 3C Protease in complex with Z1980894300
分子名称: Protease 3C, [4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl]methanol
著者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.
登録日2023-08-24
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献PanDDA analysis group deposition
To Be Published

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