7BEI
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![BU of 7bei by Molmil](/molmil-images/mine/7bei) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-150 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-150 heavy chain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEJ
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![BU of 7bej by Molmil](/molmil-images/mine/7bej) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-158 Fab (crystal form 1) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, COVOX-158 heavy chain, COVOX-158 light chain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.42 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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7BEL
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![BU of 7bel by Molmil](/molmil-images/mine/7bel) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in a ternary complex with COVOX-88 and COVOX-45 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COVOX-45 heavy chain, ... | Authors: | Zhou, D, Zhao, Y, Ren, J, Stuart, D. | Deposit date: | 2020-12-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | The antigenic anatomy of SARS-CoV-2 receptor binding domain. Cell, 184, 2021
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3DOL
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![BU of 3dol by Molmil](/molmil-images/mine/3dol) | Crystal structure of L100I mutant HIV-1 reverse transcriptase in complex with GW695634. | Descriptor: | N-({4-[({4-chloro-2-[(3-chloro-5-cyanophenyl)carbonyl]phenoxy}acetyl)amino]-3-methylphenyl}sulfonyl)propanamide, PHOSPHATE ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Chamberlain, P.P, Ren, J, Stammers, D.K. | Deposit date: | 2008-07-04 | Release date: | 2008-08-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the improved drug resistance profile of new generation benzophenone non-nucleoside HIV-1 reverse transcriptase inhibitors. J.Med.Chem., 51, 2008
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1PYE
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![BU of 1pye by Molmil](/molmil-images/mine/1pye) | Crystal structure of CDK2 with inhibitor | Descriptor: | Cell division protein kinase 2, [2-AMINO-6-(2,6-DIFLUORO-BENZOYL)-IMIDAZO[1,2-A]PYRIDIN-3-YL]-PHENYL-METHANONE | Authors: | Zhang, F, Hamdouchi, C. | Deposit date: | 2003-07-08 | Release date: | 2004-07-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The discovery of a new structural class of cyclin-dependent kinase inhibitors, aminoimidazo[1,2-a]pyridines. MOL.CANCER THER., 3, 2004
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3FFG
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![BU of 3ffg by Molmil](/molmil-images/mine/3ffg) | Factor XA in complex with the inhibitor (R)-6-(2'-((3- HYDROXYPYRROLIDIN-1-YL)METHYL)BIPHENYL-4-YL)-1-(3-(5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)PHENYL)-3-(TRIFLUOROMETHYL)-5,6-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDIN- 7(4H)-ONE | Descriptor: | (R)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one, Coagulation factor X, heavy chain, ... | Authors: | Alexander, R.A. | Deposit date: | 2008-12-03 | Release date: | 2009-12-08 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Phenyltriazolinones as potent factor Xa inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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3F9P
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![BU of 3f9p by Molmil](/molmil-images/mine/3f9p) | Crystal structure of myeloperoxidase from human leukocytes | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ... | Authors: | Carpena, X, Fita, I, Obinger, C. | Deposit date: | 2008-11-14 | Release date: | 2009-07-14 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.93 Å) | Cite: | Essential role of proximal histidine-asparagine interaction in Mammalian peroxidases. J.Biol.Chem., 284, 2009
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1FIC
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![BU of 1fic by Molmil](/molmil-images/mine/1fic) | |
1O4V
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![BU of 1o4v by Molmil](/molmil-images/mine/1o4v) | |
6YSP
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![BU of 6ysp by Molmil](/molmil-images/mine/6ysp) | Arabidopsis aspartate transcarbamoylase complex with PALA and carbamoyl phosphate | Descriptor: | GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ... | Authors: | Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T. | Deposit date: | 2020-04-23 | Release date: | 2021-03-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase. Nat Commun, 12, 2021
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6YW9
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![BU of 6yw9 by Molmil](/molmil-images/mine/6yw9) | Arabidopsis aspartate transcarbamoylase mutant F161A complex with PALA | Descriptor: | GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, PYRB | Authors: | Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T. | Deposit date: | 2020-04-29 | Release date: | 2021-03-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase. Nat Commun, 12, 2021
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6YVB
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![BU of 6yvb by Molmil](/molmil-images/mine/6yvb) | Arabidopsis aspartate transcarbamoylase complex with carbamoyl phosphate | Descriptor: | ACETATE ION, GLYCEROL, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ... | Authors: | Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T. | Deposit date: | 2020-04-28 | Release date: | 2021-03-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.826 Å) | Cite: | Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase. Nat Commun, 12, 2021
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6YY1
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![BU of 6yy1 by Molmil](/molmil-images/mine/6yy1) | Arabidopsis aspartate transcarbamoylase in apo state | Descriptor: | GLYCEROL, PYRB | Authors: | Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T. | Deposit date: | 2020-05-04 | Release date: | 2021-03-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.06 Å) | Cite: | Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase. Nat Commun, 12, 2021
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6YWJ
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![BU of 6ywj by Molmil](/molmil-images/mine/6ywj) | Arabidopsis aspartate transcarbamoylase mutant F161A complex with UMP | Descriptor: | GLYCEROL, PYRB, URIDINE-5'-MONOPHOSPHATE | Authors: | Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T. | Deposit date: | 2020-04-29 | Release date: | 2021-03-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase. Nat Commun, 12, 2021
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3M4N
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![BU of 3m4n by Molmil](/molmil-images/mine/3m4n) | Crystal structure of N-acetyl-L-ornithine transcarbamylase K302A mutant complexed with PALAO | Descriptor: | N-acetylornithine carbamoyltransferase, N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine, SULFATE ION | Authors: | Li, Y, Yu, X, Allewell, N.M, Tuchman, M, Shi, D. | Deposit date: | 2010-03-11 | Release date: | 2010-07-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Reversible post-translational carboxylation modulates the enzymatic activity of N-acetyl-L-ornithine transcarbamylase. Biochemistry, 49, 2010
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1O8C
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![BU of 1o8c by Molmil](/molmil-images/mine/1o8c) | CRYSTAL STRUCTURE OF E. COLI K-12 YHDH WITH BOUND NADPH | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, YHDH | Authors: | Sulzenbacher, G, Roig-Zamboni, V, Pagot, F, Grisel, S, Salamoni, A, Valencia, C, Bignon, C, Vincentelli, R, Tegoni, M, Cambillau, C. | Deposit date: | 2002-11-26 | Release date: | 2004-05-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Escherichia Coli Yhdh, a Putative Quinone Oxidoreductase Acta Crystallogr.,Sect.D, 60, 2004
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3CUK
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![BU of 3cuk by Molmil](/molmil-images/mine/3cuk) | |
3CZ0
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![BU of 3cz0 by Molmil](/molmil-images/mine/3cz0) | Dimeric crystal structure of a pheromone binding protein from Apis mellifera in complex with the n-butyl benzene sulfonamide at pH 7.0 | Descriptor: | (2Z)-9-oxodec-2-enoic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | Deposit date: | 2008-04-27 | Release date: | 2009-04-28 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release J.Mol.Biol., 390, 2009
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3D76
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![BU of 3d76 by Molmil](/molmil-images/mine/3d76) | Crystal structure of a pheromone binding protein mutant D35N, from Apis mellifera, soaked at pH 7.0 | Descriptor: | 1,2-ETHANEDIOL, N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1, ... | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | Deposit date: | 2008-05-20 | Release date: | 2009-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release J.Mol.Biol., 390, 2009
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1O89
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![BU of 1o89 by Molmil](/molmil-images/mine/1o89) | Crystal structure of E. COLI K-12 yhdH | Descriptor: | YHDH | Authors: | Sulzenbacher, G, Roig-Zamboni, V, Pagot, F, Grisel, S, Salamoni, A, Valencia, C, Bignon, C, Vincentelli, R, Tegoni, M, Cambillau, C. | Deposit date: | 2002-11-26 | Release date: | 2004-02-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of the Escherichia Coli Yhdh, a Putative Quinone Oxidoreductase Acta Crystallogr.,Sect.D, 60, 2004
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3D6D
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![BU of 3d6d by Molmil](/molmil-images/mine/3d6d) | Crystal Structure of the complex between PPARgamma LBD and the LT175(R-enantiomer) | Descriptor: | (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma | Authors: | Pochetti, G, Montanari, R. | Deposit date: | 2008-05-19 | Release date: | 2008-12-30 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design J.Med.Chem., 51, 2008
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3N8G
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![BU of 3n8g by Molmil](/molmil-images/mine/3n8g) | Structure of the (SR)Ca2+-ATPase Ca2-E1-CaAMPPCP form | Descriptor: | CALCIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Bublitz, M, Olesen, C, Poulsen, H, Morth, J.P, Moller, J.V, Nissen, P. | Deposit date: | 2010-05-28 | Release date: | 2011-06-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.585 Å) | Cite: | Ion pathways in the sarcoplasmic reticulum Ca2+-ATPase. J.Biol.Chem., 288, 2013
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3D74
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![BU of 3d74 by Molmil](/molmil-images/mine/3d74) | Crystal structure of a pheromone binding protein mutant D35A, from Apis mellifera, soaked at pH 5.5 | Descriptor: | N-BUTYL-BENZENESULFONAMIDE, Pheromone-binding protein ASP1 | Authors: | Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C. | Deposit date: | 2008-05-20 | Release date: | 2009-05-26 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Queen bee pheromone binding protein pH-induced domain swapping favors pheromone release J.Mol.Biol., 390, 2009
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1OHR
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![BU of 1ohr by Molmil](/molmil-images/mine/1ohr) | |
2EKL
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![BU of 2ekl by Molmil](/molmil-images/mine/2ekl) | |