7YXR
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![BU of 7yxr by Molmil](/molmil-images/mine/7yxr) | Crystal structure of mutant AncGR2-LBD (Y545A) bound to dexamethasone and SHP coregulator fragment | Descriptor: | Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ... | Authors: | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | Deposit date: | 2022-02-16 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
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3QWC
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![BU of 3qwc by Molmil](/molmil-images/mine/3qwc) | Thrombin Inhibition by Pyridin Derivatives | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(4-chloro-1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-02-28 | Release date: | 2012-03-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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7YXN
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![BU of 7yxn by Molmil](/molmil-images/mine/7yxn) | Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment | Descriptor: | Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ... | Authors: | Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | Deposit date: | 2022-02-16 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
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6ZLA
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![BU of 6zla by Molmil](/molmil-images/mine/6zla) | |
6ZLK
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![BU of 6zlk by Molmil](/molmil-images/mine/6zlk) | Equilibrium Structure of UDP-Glucuronic acid 4-epimerase from Bacillus cereus in complex with UDP-Glucuronic acid/UDP-Galacturonic acid and NAD | Descriptor: | (2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid, Epimerase domain-containing protein, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Iacovino, L.G, Mattevi, A. | Deposit date: | 2020-06-30 | Release date: | 2020-07-29 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic snapshots of UDP-glucuronic acid 4-epimerase ligand binding, rotation, and reduction. J.Biol.Chem., 295, 2020
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4H2Y
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![BU of 4h2y by Molmil](/molmil-images/mine/4h2y) | Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and ATP | Descriptor: | 4'-PHOSPHOPANTETHEINE, ADENOSINE-5'-TRIPHOSPHATE, Amino acid--[acyl-carrier-protein] ligase 1, ... | Authors: | Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. | Deposit date: | 2012-09-13 | Release date: | 2013-03-06 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation. Structure, 21, 2013
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4H2S
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![BU of 4h2s by Molmil](/molmil-images/mine/4h2s) | Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with cognate carrier protein and AMP | Descriptor: | 4'-PHOSPHOPANTETHEINE, ACETATE ION, ADENOSINE MONOPHOSPHATE, ... | Authors: | Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. | Deposit date: | 2012-09-13 | Release date: | 2013-03-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation. Structure, 21, 2013
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4H2V
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![BU of 4h2v by Molmil](/molmil-images/mine/4h2v) | Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with glycylated carrier protein | Descriptor: | 4'-PHOSPHOPANTETHEINE, ACETATE ION, ADENOSINE MONOPHOSPHATE, ... | Authors: | Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. | Deposit date: | 2012-09-13 | Release date: | 2013-03-06 | Last modified: | 2013-05-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation. Structure, 21, 2013
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1UXZ
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![BU of 1uxz by Molmil](/molmil-images/mine/1uxz) | Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A | Descriptor: | CELLULASE B | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | Deposit date: | 2004-03-01 | Release date: | 2004-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
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6SES
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![BU of 6ses by Molmil](/molmil-images/mine/6ses) | Tubulin-B2 complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Guo, B, Rodriguez-Gabin, A, Prota, A.E, Muehlethaler, T, Zhang, N, Ye, K, Steinmetz, M.O, Band Horwitz, S, Smith III, A.B, McDaid, H.M. | Deposit date: | 2019-07-30 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Refinement of the Tubulin Ligand (+)-Discodermolide to Attenuate Chemotherapy-Mediated Senescence. Mol.Pharmacol., 98, 2020
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6BME
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![BU of 6bme by Molmil](/molmil-images/mine/6bme) | |
4H2X
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![BU of 4h2x by Molmil](/molmil-images/mine/4h2x) | Crystal structure of engineered Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with carrier protein from Agrobacterium tumefaciens and an analogue of glycyl adenylate | Descriptor: | 4'-PHOSPHOPANTETHEINE, 5'-O-(glycylsulfamoyl)adenosine, Amino acid--[acyl-carrier-protein] ligase 1, ... | Authors: | Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. | Deposit date: | 2012-09-13 | Release date: | 2013-03-06 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation. Structure, 21, 2013
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4YMB
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![BU of 4ymb by Molmil](/molmil-images/mine/4ymb) | Structure of the ligand-binding domain of GluK1 in complex with the antagonist CNG10111 | Descriptor: | (3R,4S)-3-(3-carboxyphenyl)-4-propyl-L-proline, 1,2-ETHANEDIOL, ACETATE ION, ... | Authors: | Moller, C, Tapken, D, Kastrup, J.S, Frydenvang, K. | Deposit date: | 2015-03-06 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Structure-Activity Relationship Study of Ionotropic Glutamate Receptor Antagonist (2S,3R)-3-(3-Carboxyphenyl)pyrrolidine-2-carboxylic Acid. J.Med.Chem., 58, 2015
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4YIZ
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![BU of 4yiz by Molmil](/molmil-images/mine/4yiz) | |
4H2U
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![BU of 4h2u by Molmil](/molmil-images/mine/4h2u) | Crystal structure of Bradyrhizobium japonicum glycine:[carrier protein] ligase complexed with cognate carrier protein and ATP | Descriptor: | 4'-PHOSPHOPANTETHEINE, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ... | Authors: | Luic, M, Weygand-Durasevic, I, Ivic, N, Mocibob, M. | Deposit date: | 2012-09-13 | Release date: | 2013-03-06 | Last modified: | 2013-05-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Adaptation of aminoacyl-tRNA synthetase catalytic core to carrier protein aminoacylation. Structure, 21, 2013
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8OQ6
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![BU of 8oq6 by Molmil](/molmil-images/mine/8oq6) | CryoEM structure of human rho1 GABAA receptor apo state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ... | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | Deposit date: | 2023-04-11 | Release date: | 2023-08-30 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (3.21 Å) | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
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1UXX
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![BU of 1uxx by Molmil](/molmil-images/mine/1uxx) | CBM6ct from Clostridium thermocellum in complex with xylopentaose | Descriptor: | CALCIUM ION, XYLANASE U, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Henrissat, D.B.B, Gilbert, H.J. | Deposit date: | 2004-03-01 | Release date: | 2004-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
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8OQ7
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![BU of 8oq7 by Molmil](/molmil-images/mine/8oq7) | CryoEM structure of human rho1 GABAA receptor in complex with inhibitor TPMPA | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DECANE, ... | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | Deposit date: | 2023-04-11 | Release date: | 2023-08-30 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (2.2 Å) | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
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1UYY
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![BU of 1uyy by Molmil](/molmil-images/mine/1uyy) | Carbohydrate binding module (CBM6cm-2) from Cellvibrio mixtus lichenase 5A in complex with cellotriose | Descriptor: | CALCIUM ION, CELLULASE B, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Czjzek, M, Pires, V.M.R, Henshaw, J, Prates, J.A.M, Bolam, D, Henrissat, B, Gilbert, H.J. | Deposit date: | 2004-03-03 | Release date: | 2004-03-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | The Crystal Structure of the Family 6 Carbohydrate Binding Module from Cellvibrio Mixtus Endoglucanase 5A in Complex with Oligosaccharides Reveals Two Distinct Binding Sites with Different Ligand Specificities J.Biol.Chem., 279, 2004
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8OQA
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![BU of 8oqa by Molmil](/molmil-images/mine/8oqa) | CryoEM structure of human rho1 GABAA receptor in complex with GABA and picrotoxin | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | Deposit date: | 2023-04-11 | Release date: | 2023-08-30 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
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8OQ8
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![BU of 8oq8 by Molmil](/molmil-images/mine/8oq8) | CryoEM structure of human rho1 GABAA receptor in complex with pore blocker picrotoxin | Descriptor: | (1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-3,6-methano-1,5,7-trioxacyclopenta[ij]c yclopropa[a]azulene-4,8(3H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, DECANE, ... | Authors: | Chen, F, Victor, T, John, C, Rebecca, J.H, Lindahl, E. | Deposit date: | 2023-04-11 | Release date: | 2023-08-30 | Last modified: | 2024-02-07 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure and dynamics of differential ligand binding in the human rho-type GABA A receptor. Neuron, 111, 2023
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2ZNK
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![BU of 2znk by Molmil](/molmil-images/mine/2znk) | Thrombin Inhibition | Descriptor: | D-leucyl-N-(4-carbamimidoylbenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ... | Authors: | Baum, B, Heine, A, Klebe, G. | Deposit date: | 2008-04-26 | Release date: | 2009-04-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Non-additivity of functional group contributions in protein-ligand binding: a comprehensive study by crystallography and isothermal titration calorimetry. J.Mol.Biol., 397, 2010
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3QTO
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![BU of 3qto by Molmil](/molmil-images/mine/3qto) | Thrombin Inhibition by Pyridin Derivatives | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-[(1-methylpyridinium-3-yl)methyl]-L-prolinamide, GLYCEROL, ... | Authors: | Biela, A, Heine, A, Klebe, G. | Deposit date: | 2011-02-23 | Release date: | 2012-02-29 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Impact of ligand and protein desolvation on ligand binding to the S1 pocket of thrombin J.Mol.Biol., 418, 2012
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8EI1
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![BU of 8ei1 by Molmil](/molmil-images/mine/8ei1) | Crystal structure of the N-terminal domain of CUL4B in complex with H316, a Helicon Polypeptide | Descriptor: | Cullin-4B, H316, N,N'-(1,4-phenylene)diacetamide | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | Deposit date: | 2022-09-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
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8EI2
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![BU of 8ei2 by Molmil](/molmil-images/mine/8ei2) | Crystal structure of the N-terminal domain of CUL5 in complex with H314, a Helicon Polypeptide | Descriptor: | Cullin-5, H314, N,N'-(1,4-phenylene)diacetamide | Authors: | Li, K, Tokareva, O.S, Thomson, T.M, Verdine, G.L, McGee, J.H. | Deposit date: | 2022-09-14 | Release date: | 2023-10-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Recognition and reprogramming of E3 ubiquitin ligase surfaces by alpha-helical peptides. Nat Commun, 14, 2023
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