3L19
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![BU of 3l19 by Molmil](/molmil-images/mine/3l19) | Crystal structure of calcium binding domain of CpCDPK3, cgd5_820 | Descriptor: | CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, GLYCEROL, ... | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Walker, J.R, Sullivan, H, Lin, Y.-H, Mackenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | Deposit date: | 2009-12-11 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Crystal structure of calcium binding domain of CpCDPK3, cgd5_820 To be Published
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3PXM
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![BU of 3pxm by Molmil](/molmil-images/mine/3pxm) | Reduced sweetness of a monellin (MNEI) mutant results from increased protein flexibility and disruption of a distant poly-(L-proline) II helix | Descriptor: | Monellin chain B/Monellin chain A chimeric protein | Authors: | Hobbs, J.R, Templeton, C.M, Pour, S.O, Blanch, E.W, Munger, S.M, Conn, G.L. | Deposit date: | 2010-12-10 | Release date: | 2011-04-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reduced Sweetness of a Monellin (MNEI) Mutant Results from Increased Protein Flexibility and Disruption of a Distant Poly-(L-Proline) II Helix. Chem Senses, 36, 2011
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3PYJ
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![BU of 3pyj by Molmil](/molmil-images/mine/3pyj) | Reduced sweetness of a monellin (MNEI) mutant results from increased protein flexibility and disruption of a distant poly-(L-proline) II helix | Descriptor: | FORMIC ACID, Monellin chain B/Monellin chain A chimeric protein | Authors: | Hobbs, J.R, Conn, G.C, Munger, S.D, Templeton, C.M. | Deposit date: | 2010-12-13 | Release date: | 2011-04-06 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reduced Sweetness of a Monellin (MNEI) Mutant Results from Increased Protein Flexibility and Disruption of a Distant Poly-(L-Proline) II Helix. Chem Senses, 36, 2011
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3KVA
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![BU of 3kva by Molmil](/molmil-images/mine/3kva) | Structure of KIAA1718 Jumonji domain in complex with alpha-ketoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, FE (II) ION, JmjC domain-containing histone demethylation protein 1D, ... | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | Deposit date: | 2009-11-29 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases. Nat.Struct.Mol.Biol., 17, 2010
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3KV4
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![BU of 3kv4 by Molmil](/molmil-images/mine/3kv4) | Structure of PHF8 in complex with histone H3 | Descriptor: | 1,2-ETHANEDIOL, FE (II) ION, Histone H3-like, ... | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | Deposit date: | 2009-11-29 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases. Nat.Struct.Mol.Biol., 17, 2010
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5BQN
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![BU of 5bqn by Molmil](/molmil-images/mine/5bqn) | Crystal structure of the LHn fragment of botulinum neurotoxin type D, mutant H233Y E230Q | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Botulinum neurotoxin type D,Botulinum neurotoxin type D | Authors: | Masuyer, G, Davies, J.R, Moore, K, Chaddock, J.A, Acharya, K.R. | Deposit date: | 2015-05-29 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of Clostridium botulinum neurotoxin type D as a platform for the development of targeted secretion inhibitors. Sci Rep, 5, 2015
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5BKE
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![BU of 5bke by Molmil](/molmil-images/mine/5bke) | Crystal structure of AAD-2 in complex with Mn(II) and N-oxalylglycine | Descriptor: | Alpha-ketoglutarate-dependent 2,4-dichlorophenoxyacetate dioxygenase, MANGANESE (II) ION, N-OXALYLGLYCINE, ... | Authors: | Chekan, J.R, Nair, S.K. | Deposit date: | 2019-06-02 | Release date: | 2019-06-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Molecular basis for enantioselective herbicide degradation imparted by aryloxyalkanoate dioxygenases in transgenic plants. Proc.Natl.Acad.Sci.USA, 116, 2019
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3HV5
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![BU of 3hv5 by Molmil](/molmil-images/mine/3hv5) | Human p38 MAP Kinase in Complex with RL24 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{3-[(6-nitroquinolin-4-yl)amino]phenyl}urea, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, ... | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-06-15 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
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5DVL
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![BU of 5dvl by Molmil](/molmil-images/mine/5dvl) | Fc Design 20.8.37 A chain homodimer Y349S/T366M/K370Y/K409V | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-21 | Release date: | 2016-03-30 | Last modified: | 2016-07-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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5DW4
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![BU of 5dw4 by Molmil](/molmil-images/mine/5dw4) | |
5E54
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![BU of 5e54 by Molmil](/molmil-images/mine/5e54) | Two apo structures of the adenine riboswitch aptamer domain determined using an X-ray free electron laser | Descriptor: | MAGNESIUM ION, Vibrio vulnificus strain 93U204 chromosome II, adenine riboswitch aptamer domain | Authors: | Stagno, J.R, Wang, Y.-X, Liu, Y, Bhandari, Y.R, Conrad, C.E, Nelson, G, Li, C, Wendel, D.R, White, T.A, Barty, A, Tuckey, R.A, Zatsepin, N.A, Grant, T.D, Fromme, P, Tan, K, Ji, X, Spence, J.C.H. | Deposit date: | 2015-10-07 | Release date: | 2016-11-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of riboswitch RNA reaction states by mix-and-inject XFEL serial crystallography. Nature, 541, 2017
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3PU3
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![BU of 3pu3 by Molmil](/molmil-images/mine/3pu3) | PHF2 Jumonji domain-NOG complex | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-OXALYLGLYCINE, ... | Authors: | Horton, J.R, Upadhyay, A.K, Hashimoto, H, Zhang, X, Cheng, X. | Deposit date: | 2010-12-03 | Release date: | 2011-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for human PHF2 Jumonji domain interaction with metal ions. J.Mol.Biol., 406, 2011
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5DJY
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![BU of 5djy by Molmil](/molmil-images/mine/5djy) | Fc Heterodimer Design 20.8 Y349S/T366V/K370Y/K409V + E357D/S364Q/Y407A | Descriptor: | Fc-III peptide, Ig gamma-1 chain C region, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-02 | Release date: | 2016-03-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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3PHE
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![BU of 3phe by Molmil](/molmil-images/mine/3phe) | HCV NS5B with a bound quinolone inhibitor | Descriptor: | 4-chlorobenzyl 6-fluoro-7-(4-methylpiperazin-1-yl)-1-[4-(methylsulfonyl)benzyl]-4-oxo-1,4-dihydroquinoline-3-carboxylate, HCV encoded nonstructural 5B protein | Authors: | Somoza, J.R, To, N, Lehoux, I. | Deposit date: | 2010-11-03 | Release date: | 2010-11-17 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Quinolones as HCV NS5B polymerase inhibitors. Bioorg.Med.Chem.Lett., 21, 2011
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5E93
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![BU of 5e93 by Molmil](/molmil-images/mine/5e93) | Crystal Structure of Trypanosoma cruzi Dihydroorotate Dehydrogenase in Complex with Neq0071 | Descriptor: | 1,2-ETHANEDIOL, 5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione, CACODYLATE ION, ... | Authors: | Rocha, J.R, Inaoka, D.K, Cheleski, J, Shiba, T, Harada, S, Montanari, C.A, Kita, K. | Deposit date: | 2015-10-14 | Release date: | 2016-10-19 | Last modified: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Exploring Trypanosoma cruzi Dihydroorotate Dehydrogenase Active Site Plasticity for the Discovery of Potent and Selective Inhibitors with Trypanocidal Activity To be Published
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3LC9
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![BU of 3lc9 by Molmil](/molmil-images/mine/3lc9) | |
5DVO
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![BU of 5dvo by Molmil](/molmil-images/mine/5dvo) | Fc K392D/K409D homodimer | Descriptor: | Ig gamma-1 chain C region, SULFATE ION | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-21 | Release date: | 2016-03-30 | Last modified: | 2016-04-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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3LFF
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![BU of 3lff by Molmil](/molmil-images/mine/3lff) | Human p38 MAP Kinase in Complex with RL166 | Descriptor: | (4-{3-tert-butyl-5-[(1,3-thiazol-2-ylcarbamoyl)amino]-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-01-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
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3LFE
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![BU of 3lfe by Molmil](/molmil-images/mine/3lfe) | Human p38 MAP Kinase in Complex with RL116 | Descriptor: | 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-{4-[2-(pyridin-4-ylmethoxy)ethyl]-1,3-thiazol-2-yl}urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2010-01-16 | Release date: | 2011-04-20 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha To be Published
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3Q1D
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![BU of 3q1d by Molmil](/molmil-images/mine/3q1d) | The B-box domain of Trim54 | Descriptor: | Tripartite motif-containing protein 54, ZINC ION | Authors: | Walker, J.R, Yermekbayeva, L, Mackenzie, F, Dong, A, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S. | Deposit date: | 2010-12-17 | Release date: | 2011-01-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The B-Box Domain of Trim54 To be Published
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3Q2P
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![BU of 3q2p by Molmil](/molmil-images/mine/3q2p) | Reduced sweetness of a monellin (MNEI) mutant results from increased protein flexibility and disruption of a distant poly-(L-proline) II helix | Descriptor: | Monellin chain B/Monellin chain A chimeric protein, SODIUM ION | Authors: | Templeton, C.M, Hobbs, J.R, Munger, S.D, Conn, G.L. | Deposit date: | 2010-12-20 | Release date: | 2011-04-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.341 Å) | Cite: | Reduced Sweetness of a Monellin (MNEI) Mutant Results from Increased Protein Flexibility and Disruption of a Distant Poly-(L-Proline) II Helix. Chem Senses, 36, 2011
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5DVK
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![BU of 5dvk by Molmil](/molmil-images/mine/5dvk) | Fc Design 7.7 B chain homodimer T366V/K409I | Descriptor: | Ig gamma-1 chain C region | Authors: | Atwell, S, Leaver-Fay, A, Froning, K.J, Aldaz, H, Pustilnik, A, Lu, F, Huang, F, Yuan, R, Dhanani, S.H, Chamberlain, A.K, Fitchett, J.R, Gutierrez, B, Hendle, J, Demarest, S.J, Kuhlman, B. | Deposit date: | 2015-09-21 | Release date: | 2016-03-30 | Last modified: | 2016-04-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Computationally Designed Bispecific Antibodies using Negative State Repertoires. Structure, 24, 2016
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5DW5
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![BU of 5dw5 by Molmil](/molmil-images/mine/5dw5) | |
5E0E
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![BU of 5e0e by Molmil](/molmil-images/mine/5e0e) | |
3KV5
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![BU of 3kv5 by Molmil](/molmil-images/mine/3kv5) | Structure of KIAA1718, human Jumonji demethylase, in complex with N-oxalylglycine | Descriptor: | FE (II) ION, JmjC domain-containing histone demethylation protein 1D, N-OXALYLGLYCINE, ... | Authors: | Horton, J.R, Upadhyay, A.K, Qi, H.H, Zhang, X, Shi, Y, Cheng, X. | Deposit date: | 2009-11-29 | Release date: | 2009-12-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Enzymatic and structural insights for substrate specificity of a family of jumonji histone lysine demethylases. Nat.Struct.Mol.Biol., 17, 2010
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