6QGJ
| Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid | Descriptor: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-11 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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1W5J
| AN ANTI-PARALLEL FOUR HELIX BUNDLE | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2004-08-07 | Release date: | 2004-09-24 | Last modified: | 2019-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Coiled Coils at the Edge of Configurational Heterogeneity. Structural Analyses of Parallel and Antiparallel Homotetrameric Coiled Coils Reveal Configurational Sensitivity to a Single Solvent-Exposed Amino Acid Substitution. Biochemistry, 45, 2006
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1W13
| UROKINASE TYPE PLASMINOGEN ACTIVATOR | Descriptor: | N-(BENZYLSULFONYL)-D-SERYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BENZYL)-L-ALANINAMIDE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Jacob, U. | Deposit date: | 2004-06-15 | Release date: | 2008-05-20 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystals of Urokinase Type Plasminogen Activator Complexes Reveal the Binding Mode of Peptidomimetic Inhibitors. J.Mol.Biol., 328, 2003
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1W5I
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1E7O
| A-SPECTRIN SH3 DOMAIN A11V, V23L, M25V, V44I, V58L MUTATIONS | Descriptor: | GLYCEROL, SPECTRIN ALPHA CHAIN | Authors: | Vega, M.C, Serrano, L. | Deposit date: | 2000-08-31 | Release date: | 2003-05-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | A Thermodynamic and Kinetic Analysis of the Folding Pathway of an SH3 Domain Entropically Stabilised by a Redesigned Hydrophobic Core J.Mol.Biol., 328, 2003
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1W5H
| An anti-parallel four helix bundle. | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2004-08-06 | Release date: | 2004-09-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Coiled Coils at the Edge of Configurational Heterogeneity. Structural Analyses of Parallel and Antiparallel Homotetrameric Coiled Coils Reveal Configurational Sensitivity to a Single Solvent-Exposed Amino Acid Substitution. Biochemistry, 45, 2006
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1W5G
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1W08
| STRUCTURE OF T70N HUMAN LYSOZYME | Descriptor: | CHLORIDE ION, LYSOZYME | Authors: | Johnson, R, Christodoulou, J, Luisi, B, Dumoulin, M, Caddy, G, Alcocer, M, Murtagh, G, Archer, D.B, Dobson, C.M. | Deposit date: | 2004-06-02 | Release date: | 2004-06-10 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Rationalising Lysozyme Amyloidosis: Insights from the Structure and Solution Dynamics of T70N Lysozyme. J.Mol.Biol., 352, 2005
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1W5L
| An anti-parallel to parallel switch. | Descriptor: | GENERAL CONTROL PROTEIN GCN4 | Authors: | Yadav, M.K, Leman, L.J, Stout, C.D, Ghadiri, M.R. | Deposit date: | 2004-08-07 | Release date: | 2004-09-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Coiled Coils at the Edge of Configurational Heterogeneity. Structural Analyses of Parallel and Antiparallel Homotetrameric Coiled Coils Reveal Configurational Sensitivity to a Single Solvent-Exposed Amino Acid Substitution. Biochemistry, 45, 2006
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4AUO
| Crystal structure of MMP-1(E200A) in complex with a triple-helical collagen peptide | Descriptor: | CALCIUM ION, INTERSTITIAL COLLAGENASE, TRIPLE-HELICAL COLLAGEN PEPTIDE, ... | Authors: | Manka, S.W, Carafoli, F, Visse, R, Bihan, D, Raynal, N, Farndale, R.W, Murphy, G, Enghild, J.J, Hohenester, E, Nagase, H. | Deposit date: | 2012-05-18 | Release date: | 2012-07-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Insights Into Triple-Helical Collagen Cleavage by Matrix Metalloproteinase 1 Proc.Natl.Acad.Sci.USA, 109, 2012
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4B9Q
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4BGC
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6RZH
| Galectin-3C in complex with para-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.947 Å) | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
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1EXP
| BETA-1,4-GLYCANASE CEX-CD | Descriptor: | BETA-1,4-D-GLYCANASE CEX-CD, beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose | Authors: | White, A, Tull, D, Johns, K.L, Withers, S.G, Rose, D.R. | Deposit date: | 1996-01-11 | Release date: | 1997-01-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystallographic observation of a covalent catalytic intermediate in a beta-glycosidase. Nat.Struct.Biol., 3, 1996
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4LKS
| Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens in complex with galactose | Descriptor: | CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ... | Authors: | Grondin, J.M, Duan, D, Kirlin, A.C, Furness, H.S, Allingham, J.S, Smith, S.P. | Deposit date: | 2013-07-08 | Release date: | 2014-12-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. Plos One, 12, 2017
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4LNR
| The structure of HLA-B*35:01 in complex with the peptide (RPQVPLRPMTY) | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | Authors: | Cheng, H, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2013-07-12 | Release date: | 2014-07-23 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Peptide-dependent conformational fluctuation determines the stability of the human leukocyte antigen class I complex. J.Biol.Chem., 289, 2014
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4NAI
| Arabidopsis thaliana IspD apo | Descriptor: | 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, CADMIUM ION, ... | Authors: | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | Deposit date: | 2013-10-22 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NAK
| Arabidopsis thaliana IspD in complex with pentabromo-pseudilin | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | Authors: | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | Deposit date: | 2013-10-22 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NAN
| Arabidopsis thaliana IspD in complex with tetrabromo-pseudilin | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-C-methyl-D-erythritol 4-phosphate cytidylyltransferase, chloroplastic, ... | Authors: | Kunfermann, A, Witschel, M, Illarionov, B, Martin, R, Rottmann, M, Hoffken, H.W, Seet, M, Eisenreich, W, Knolker, H.-J, Fischer, M, Bacher, A, Groll, M, Diederich, F. | Deposit date: | 2013-10-22 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Pseudilins: Halogenated, Allosteric Inhibitors of the Non-Mevalonate Pathway Enzyme IspD. Angew.Chem.Int.Ed.Engl., 53, 2014
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4NMX
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4N73
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6RZG
| Galectin-3C in complex with meta-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, CHLORIDE ION, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.015 Å) | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
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6RZF
| Galectin-3C in complex with ortho-fluoroaryltriazole galactopyranosyl 1-thio-D-glucopyranoside derivative | Descriptor: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol, Galectin-3 | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | Deposit date: | 2019-06-13 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.016 Å) | Cite: | Entropy-Entropy Compensation between the Protein, Ligand, and Solvent Degrees of Freedom Fine-Tunes Affinity in Ligand Binding to Galectin-3C. Jacs Au, 1, 2021
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4OQ6
| Crystal Structure of Human MCL-1 Bound to Inhibitor 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid | Descriptor: | 4-hydroxy-4'-propylbiphenyl-3-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Petros, A.M, Swann, S.L, Song, D, Swinger, K, Park, C, Zhang, H, Wendt, M.D, Kunzer, A.R, Souers, A.J, Sun, C. | Deposit date: | 2014-02-07 | Release date: | 2014-03-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Fragment-based discovery of potent inhibitors of the anti-apoptotic MCL-1 protein. Bioorg.Med.Chem.Lett., 24, 2014
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4LPL
| Structure of CBM32-1 from a family 31 glycoside hydrolase from Clostridium perfringens | Descriptor: | CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ... | Authors: | Grondin, J.M, Duan, D, Heather, F.S, Spencer, C.A, Allingham, J.S, Smith, S.P. | Deposit date: | 2013-07-16 | Release date: | 2014-07-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens. Plos One, 12, 2017
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