4WBO
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1E6B
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1EL8
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![BU of 1el8 by Molmil](/molmil-images/mine/1el8) | COMPLEX OF MONOMERIC SARCOSINE OXIDASE WITH THE INHIBITOR [METHYLSELENO]CETATE | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, ... | Authors: | Wagner, M.A, Trickey, P, Chen, Z.-W, Mathews, F.S, Jorns, M.S. | Deposit date: | 2000-03-13 | Release date: | 2000-12-06 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Monomeric sarcosine oxidase: 1. Flavin reactivity and active site binding determinants. Biochemistry, 39, 2000
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4WDW
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![BU of 4wdw by Molmil](/molmil-images/mine/4wdw) | 17beta-HSD5 in complex with 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone | Descriptor: | 3,6-dihydropyridin-1(2H)-yl(5-methyl-1H-indol-2-yl)methanone, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Amano, Y, Yamaguchi, T. | Deposit date: | 2014-09-09 | Release date: | 2015-04-15 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Structures of complexes of type 5 17 beta-hydroxysteroid dehydrogenase with structurally diverse inhibitors: insights into the conformational changes upon inhibitor binding. Acta Crystallogr.,Sect.D, 71, 2015
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3M39
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![BU of 3m39 by Molmil](/molmil-images/mine/3m39) | The roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin: Fe(II)-I107E FeBMb (Fe(II) binding to FeB site) | Descriptor: | FE (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y. | Deposit date: | 2010-03-08 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin. Proc.Natl.Acad.Sci.USA, 107, 2010
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1EPH
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1E8P
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![BU of 1e8p by Molmil](/molmil-images/mine/1e8p) | Characterisation of the cellulose docking domain from Piromyces equi | Descriptor: | Endoglucanase 45A | Authors: | Raghothama, S, Eberhardt, R.Y, White, P, Hazlewood, G.P, Gilbert, H.J, Simpson, P.J, Williamson, M.P. | Deposit date: | 2000-09-28 | Release date: | 2001-09-07 | Last modified: | 2018-06-20 | Method: | SOLUTION NMR | Cite: | Characterization of a cellulosome dockerin domain from the anaerobic fungus Piromyces equi. Nat. Struct. Biol., 8, 2001
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3M3A
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![BU of 3m3a by Molmil](/molmil-images/mine/3m3a) | The roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin: Cu(II)-I107E FeBMb (Cu(II) binding to FeB site) | Descriptor: | COPPER (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Lin, Y.-W, Yeung, N, Gao, Y.-G, Miner, K.D, Tian, S, Robinson, H, Lu, Y. | Deposit date: | 2010-03-08 | Release date: | 2010-05-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Roles of glutamates and metal ions in a rationally designed nitric oxide reductase based on myoglobin. Proc.Natl.Acad.Sci.USA, 107, 2010
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1ERO
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![BU of 1ero by Molmil](/molmil-images/mine/1ero) | X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | Descriptor: | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID, TEM-1 BETA-LACTAMASE | Authors: | Ness, S, Martin, R, Kindler, A.M, Paetzel, M, Gold, M, Jones, J.B, Strynadka, N.C.J. | Deposit date: | 2000-04-06 | Release date: | 2000-05-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-based design guides the improved efficacy of deacylation transition state analogue inhibitors of TEM-1 beta-Lactamase(,). Biochemistry, 39, 2000
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1EX3
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1EOW
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![BU of 1eow by Molmil](/molmil-images/mine/1eow) | CRYSTAL STRUCTURE OF RIBONUCLEASE A COMPLEXED WITH URIDYLYL(2',5')GUANOSINE (NON-PRODUCTIVE BINDING) | Descriptor: | RIBONUCLEASE PANCREATIC, SULFATE ION, URIDYLYL-2'-5'-PHOSPHO-GUANOSINE | Authors: | Vitagliano, L, Merlino, A, Zagari, A, Mazzarella, L. | Deposit date: | 2000-03-24 | Release date: | 2000-11-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Productive and nonproductive binding to ribonuclease A: X-ray structure of two complexes with uridylyl(2',5')guanosine. Protein Sci., 9, 2000
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3MA0
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1E4S
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![BU of 1e4s by Molmil](/molmil-images/mine/1e4s) | Solution structure of the human defensin hBD-1 | Descriptor: | BETA-DEFENSIN 1 | Authors: | Bauer, F, Schweimer, K, Kluver, E, Adermann, K, Forssmann, W.G, Roesch, P, Sticht, H. | Deposit date: | 2000-07-12 | Release date: | 2001-07-12 | Last modified: | 2011-07-13 | Method: | SOLUTION NMR | Cite: | Structure Determination of Human and Murine Beta-Defensins Reveals Structural Conservation in the Absence of Significant Sequence Similarity Protein Sci., 10, 2001
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4UWH
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![BU of 4uwh by Molmil](/molmil-images/mine/4uwh) | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | Descriptor: | (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | Deposit date: | 2014-08-12 | Release date: | 2014-11-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors. J.Med.Chem., 58, 2015
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1ERU
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![BU of 1eru by Molmil](/molmil-images/mine/1eru) | HUMAN THIOREDOXIN (OXIDIZED FORM) | Descriptor: | THIOREDOXIN | Authors: | Weichsel, A, Gasdaska, J.R, Powis, G, Montfort, W.R. | Deposit date: | 1996-02-07 | Release date: | 1996-08-01 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of reduced, oxidized, and mutated human thioredoxins: evidence for a regulatory homodimer. Structure, 4, 1996
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1ESM
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![BU of 1esm by Molmil](/molmil-images/mine/1esm) | STRUCTURAL BASIS FOR THE FEEDBACK REGULATION OF ESCHERICHIA COLI PANTOTHENATE KINASE BY COENZYME A | Descriptor: | COENZYME A, PANTOTHENATE KINASE | Authors: | Yun, M, Park, C.G, Kim, J.Y, Rock, C.O, Jackowski, S, Park, H.W. | Deposit date: | 2000-04-10 | Release date: | 2000-09-20 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the feedback regulation of Escherichia coli pantothenate kinase by coenzyme A. J.Biol.Chem., 275, 2000
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4K9U
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![BU of 4k9u by Molmil](/molmil-images/mine/4k9u) | Complex of human CYP3A4 with a desoxyritonavir analog | Descriptor: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F, Poulos, T.L. | Deposit date: | 2013-04-21 | Release date: | 2013-06-19 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues. Biochemistry, 52, 2013
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6DTN
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1EU4
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![BU of 1eu4 by Molmil](/molmil-images/mine/1eu4) | CRYSTAL STRUCTURE OF THE SUPERANTIGEN SPE-H (ZINC BOUND) FROM STREPTOCOCCUS PYOGENES | Descriptor: | SUPERANTIGEN SPE-H, ZINC ION | Authors: | Arcus, V.L, Proft, T, Sigrell, J.A, Baker, H.M, Fraser, J.D, Baker, E.N. | Deposit date: | 2000-04-13 | Release date: | 2000-04-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conservation and variation in superantigen structure and activity highlighted by the three-dimensional structures of two new superantigens from Streptococcus pyogenes. J.Mol.Biol., 299, 2000
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4UZX
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![BU of 4uzx by Molmil](/molmil-images/mine/4uzx) | High-resolution NMR structures of the domains of Saccharomyces cerevisiae Tho1 | Descriptor: | PROTEIN THO1 | Authors: | Jacobsen, J.O.B, Allen, M.D, Freund, S.M.V, Bycroft, M. | Deposit date: | 2014-09-09 | Release date: | 2014-12-17 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | High-Resolution NMR Structures of the Domains of Saccharomyces Cerevisiae Tho1. Acta Crystallogr.,Sect.F, 72, 2016
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4UXP
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![BU of 4uxp by Molmil](/molmil-images/mine/4uxp) | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN-3 MOTOR DOMAIN, ... | Authors: | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | Deposit date: | 2014-08-27 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.3 Å) | Cite: | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins. Elife, 3, 2014
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4UXY
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![BU of 4uxy by Molmil](/molmil-images/mine/4uxy) | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | Descriptor: | ALPHA TUBULIN, BETA TUBULIN, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | Deposit date: | 2014-08-27 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins. Elife, 3, 2014
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4UZ8
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![BU of 4uz8 by Molmil](/molmil-images/mine/4uz8) | The SeMet structure of the family 46 carbohydrate-binding module (CBM46) of endo-beta-1,4-glucanase B (Cel5B) from Bacillus halodurans | Descriptor: | ENDO-BETA-1,4-GLUCANASE (CELULASE B), SULFATE ION | Authors: | Venditto, I, Santos, H, Ferreira, L.M.A, Sakka, K, Fontes, C.M.G.A, Najmudin, S. | Deposit date: | 2014-09-04 | Release date: | 2015-02-25 | Last modified: | 2015-05-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Family 46 Carbohydrate-Binding Modules Contribute to the Enzymatic Hydrolysis of Xyloglucan and Beta-1,3-1,4-Glucans Through Distinct Mechanisms. J.Biol.Chem., 290, 2015
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1EF1
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![BU of 1ef1 by Molmil](/molmil-images/mine/1ef1) | CRYSTAL STRUCTURE OF THE MOESIN FERM DOMAIN/TAIL DOMAIN COMPLEX | Descriptor: | MOESIN, SULFATE ION | Authors: | Pearson, M.A, Reczek, D, Bretscher, A, Karplus, P.A. | Deposit date: | 2000-02-04 | Release date: | 2000-05-10 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the ERM protein moesin reveals the FERM domain fold masked by an extended actin binding tail domain. Cell(Cambridge,Mass.), 101, 2000
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4W4V
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![BU of 4w4v by Molmil](/molmil-images/mine/4w4v) | JNK2/3 in complex with 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide | Descriptor: | 3-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(2-methylpyridin-4-yl)benzamide, c-Jun N-terminal kinase 3 | Authors: | Park, H, Iqbal, S, Hernandez, P, Mora, R, Zheng, K, Feng, Y, LoGrasso, P. | Deposit date: | 2014-08-15 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural Basis and Biological Consequences for JNK2/3 Isoform Selective Aminopyrazoles. Sci Rep, 5, 2015
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