3WVE
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![BU of 3wve by Molmil](/molmil-images/mine/3wve) | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, before photo-activation | Descriptor: | 2,2-dimethylpropanenitrile, CHLORIDE ION, FE (III) ION, ... | Authors: | Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2014-05-17 | Release date: | 2015-06-17 | Last modified: | 2015-11-04 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile. Angew.Chem.Int.Ed.Engl., 54, 2015
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3WVD
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![BU of 3wvd by Molmil](/molmil-images/mine/3wvd) | Crystal structure of Nitrile Hydratase mutant bR56K complexed with Trimethylacetonitrile, photo-activated for 50 min | Descriptor: | 2,2-dimethylpropanenitrile, FE (III) ION, MAGNESIUM ION, ... | Authors: | Yamanaka, Y, Hashimoto, K, Noguchi, K, Yohda, M, Odaka, M. | Deposit date: | 2014-05-17 | Release date: | 2015-06-17 | Last modified: | 2015-11-04 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Time-Resolved Crystallography of the Reaction Intermediate of Nitrile Hydratase: Revealing a Role for the Cysteinesulfenic Acid Ligand as a Catalytic Nucleophile. Angew.Chem.Int.Ed.Engl., 54, 2015
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1IRC
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![BU of 1irc by Molmil](/molmil-images/mine/1irc) | CYSTEINE RICH INTESTINAL PROTEIN | Descriptor: | IMIDAZOLE, MYOGLOBIN (METAQUO), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Barrick, D.E, Feese, M. | Deposit date: | 1995-12-19 | Release date: | 1996-07-11 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Replacement of the proximal ligand of sperm whale myoglobin with free imidazole in the mutant His-93-->Gly. Biochemistry, 33, 1994
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1TAY
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![BU of 1tay by Molmil](/molmil-images/mine/1tay) | |
4YU0
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![BU of 4yu0 by Molmil](/molmil-images/mine/4yu0) | Crystal structure of a tetramer of GluA2 TR mutant ligand binding domains bound with glutamate at 1.26 Angstrom resolution | Descriptor: | DI(HYDROXYETHYL)ETHER, GLUTAMIC ACID, Glutamate receptor 2,Glutamate receptor 2, ... | Authors: | Chebli, M, Salazar, H, Baranovic, J, Carbone, A.L, Ghisi, V, Faelber, K, Lau, A.Y, Daumke, O, Plested, A.J.R. | Deposit date: | 2015-03-18 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structure of the tetrameric GluA2 ligand-binding domain in complex with glutamate at 1.26 Angstroms resolution To Be Published
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1JWF
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![BU of 1jwf by Molmil](/molmil-images/mine/1jwf) | Crystal Structure of human GGA1 VHS domain. | Descriptor: | ADP-ribosylation factor binding protein GGA1 | Authors: | Shiba, T, Takatsu, H, Nogi, T, Matsugaki, N, Kawasaki, M, Igarashi, N, Suzuki, M, Kato, R, Earnest, T, Nakayama, K, Wakatsuki, S. | Deposit date: | 2001-09-04 | Release date: | 2002-03-06 | Last modified: | 2018-06-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for recognition of acidic-cluster dileucine sequence by GGA1. Nature, 415, 2002
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4W9Q
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![BU of 4w9q by Molmil](/molmil-images/mine/4w9q) | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-5-ethyl-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F. | Deposit date: | 2014-08-27 | Release date: | 2014-12-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs). Angew.Chem.Int.Ed.Engl., 54, 2015
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5E7Q
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![BU of 5e7q by Molmil](/molmil-images/mine/5e7q) | Acyl-CoA synthetase PtmA2 from Streptomyces platensis | Descriptor: | GLYCEROL, SULFATE ION, acyl-CoA synthetase | Authors: | Osipiuk, J, Cuff, M.E, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J, Ma, M, Chang, C.Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-10-12 | Release date: | 2015-10-21 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme. Nat. Chem. Biol., 14, 2018
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7TCB
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![BU of 7tcb by Molmil](/molmil-images/mine/7tcb) | Crystal Structure of the YaeQ Family Protein VPA0551 from Vibrio parahaemolyticus | Descriptor: | YaeQ family protein VPA0551 | Authors: | Kim, Y, Mulligan, R, Maltseva, N, Gu, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-12-23 | Release date: | 2022-01-05 | Last modified: | 2023-04-19 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the YaeQ Family Protein VPA0551 from Vibrio parahaemolyticus To Be Published
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1JHI
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![BU of 1jhi by Molmil](/molmil-images/mine/1jhi) | Solution Structure of a Hedamycin-DNA complex | Descriptor: | 5'-D(*AP*CP*CP*(HEH)GP*GP*T)-3', HEDAMYCIN | Authors: | Owen, E.A, Burley, G.A, Carver, J.A, Wickham, G, Keniry, M.A. | Deposit date: | 2001-06-27 | Release date: | 2003-07-08 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structural investigation of the hedamycin:d(ACCGGT)2 complex by NMR and restrained molecular dynamics. Biochem.Biophys.Res.Commun., 290, 2002
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6FSH
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![BU of 6fsh by Molmil](/molmil-images/mine/6fsh) | Crystal structure of hybrid P450 OxyBtei(BC/FGvan) | Descriptor: | ACETATE ION, OxyB protein, POTASSIUM ION, ... | Authors: | Brieke, C, Tarnawski, M, Greule, A, Cryle, M.J. | Deposit date: | 2018-02-19 | Release date: | 2018-05-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Investigating Cytochrome P450 specificity during glycopeptide antibiotic biosynthesis through a homologue hybridization approach. J. Inorg. Biochem., 185, 2018
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8SHJ
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![BU of 8shj by Molmil](/molmil-images/mine/8shj) | Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279 | Descriptor: | N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91 | Authors: | Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-14 | Release date: | 2023-07-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning. J.Med.Chem., 66, 2023
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1U2O
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![BU of 1u2o by Molmil](/molmil-images/mine/1u2o) | Crystal Structure Of The N-Domain Of Grp94 Lacking The Charged Domain In Complex With Neca | Descriptor: | Endoplasmin, N-ETHYL-5'-CARBOXAMIDO ADENOSINE, PENTAETHYLENE GLYCOL, ... | Authors: | Soldano, K.L, Jivan, A, Nicchitta, C.V, Gewirth, D.T. | Deposit date: | 2004-07-19 | Release date: | 2004-08-03 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure of the N-terminal domain of GRP94. Basis for ligand specificity and regulation J.Biol.Chem., 278, 2003
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3O2U
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![BU of 3o2u by Molmil](/molmil-images/mine/3o2u) | S. cerevisiae Ubc12 | Descriptor: | GLYCEROL, NEDD8-conjugating enzyme UBC12 | Authors: | Scott, D.C, Monda, J.K, Grace, C.R.R, Duda, D.M, Kriwacki, R.W, Kurz, T, Schulman, B.A. | Deposit date: | 2010-07-22 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | A dual E3 mechanism for Rub1 ligation to Cdc53. Mol.Cell, 39, 2010
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4A87
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1SS1
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![BU of 1ss1 by Molmil](/molmil-images/mine/1ss1) | STAPHYLOCOCCAL PROTEIN A, B-DOMAIN, Y15W MUTANT, NMR, 25 STRUCTURES | Descriptor: | Immunoglobulin G binding protein A | Authors: | Sato, S, Religa, T.L, Daggett, V, Fersht, A.R. | Deposit date: | 2004-03-23 | Release date: | 2004-04-06 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | From The Cover: Testing protein-folding simulations by experiment: B domain of protein A. Proc.Natl.Acad.Sci.USA, 101, 2004
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4A85
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![BU of 4a85 by Molmil](/molmil-images/mine/4a85) | Crystal Structure of Major Birch Pollen Allergen Bet v 1 a in complex with kinetin. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAJOR POLLEN ALLERGEN BET V 1-A, ... | Authors: | Kofler, S, Brandstetter, H. | Deposit date: | 2011-11-18 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystallographically Mapped Ligand Binding Differs in High and Low Ige Binding Isoforms of Birch Pollen Allergen Bet V 1. J.Mol.Biol., 422, 2012
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1JWG
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![BU of 1jwg by Molmil](/molmil-images/mine/1jwg) | VHS Domain of human GGA1 complexed with cation-independent M6PR C-terminal Peptide | Descriptor: | ADP-ribosylation factor binding protein GGA1, Cation-independent mannose-6-phosphate receptor, IODIDE ION | Authors: | Shiba, T, Takatsu, H, Nogi, T, Matsugaki, N, Kawasaki, M, Igarashi, N, Suzuki, M, Kato, R, Earnest, T, Nakayama, K, Wakatsuki, S. | Deposit date: | 2001-09-04 | Release date: | 2002-03-06 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural basis for recognition of acidic-cluster dileucine sequence by GGA1. Nature, 415, 2002
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1TBY
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![BU of 1tby by Molmil](/molmil-images/mine/1tby) | |
1H2A
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![BU of 1h2a by Molmil](/molmil-images/mine/1h2a) | SINGLE CRYSTALS OF HYDROGENASE FROM DESULFOVIBRIO VULGARIS | Descriptor: | FE3-S4 CLUSTER, HYDROGENASE, IRON/SULFUR CLUSTER, ... | Authors: | Higuchi, Y, Yasuoka, N. | Deposit date: | 1997-10-17 | Release date: | 1999-02-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Unusual ligand structure in Ni-Fe active center and an additional Mg site in hydrogenase revealed by high resolution X-ray structure analysis. Structure, 5, 1997
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1TDY
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![BU of 1tdy by Molmil](/molmil-images/mine/1tdy) | |
2QHX
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![BU of 2qhx by Molmil](/molmil-images/mine/2qhx) | Structure of Pteridine Reductase from Leishmania major complexed with a ligand | Descriptor: | IODIDE ION, METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Gibellini, F, Mcluskey, K, Tulloch, L, Hunter, W.N. | Deposit date: | 2007-07-03 | Release date: | 2007-12-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Discovery of potent pteridine reductase inhibitors to guide antiparasite drug development. Proc.Natl.Acad.Sci.USA, 105, 2008
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6O14
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5WP2
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![BU of 5wp2 by Molmil](/molmil-images/mine/5wp2) | 1.44 Angstrom crystal structure of CYP121 from Mycobacterium tuberculosis in complex with substrate and CN | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, CYANIDE ION, Mycocyclosin synthase, ... | Authors: | Fielding, A, Dornevil, K, Liu, A. | Deposit date: | 2017-08-03 | Release date: | 2018-05-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.439 Å) | Cite: | Probing Ligand Exchange in the P450 Enzyme CYP121 from Mycobacterium tuberculosis: Dynamic Equilibrium of the Distal Heme Ligand as a Function of pH and Temperature. J. Am. Chem. Soc., 139, 2017
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7LA4
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![BU of 7la4 by Molmil](/molmil-images/mine/7la4) | Integrin AlphaIIbBeta3-PT25-2 Complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Bush, M.W, Walz, T, Coller, B, Filizola, M, Spasic, A, Nesic, D, Li, J. | Deposit date: | 2021-01-05 | Release date: | 2022-01-12 | Last modified: | 2022-07-27 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Electron microscopy shows that binding of monoclonal antibody PT25-2 primes integrin alpha IIb beta 3 for ligand binding. Blood Adv, 5, 2021
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