2FXE
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![BU of 2fxe by Molmil](/molmil-images/mine/2fxe) | X-ray crystal structure of HIV-1 protease CRM mutant complexed with atazanavir (BMS-232632) | 分子名称: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | 著者 | Sheriff, S, Klei, H.E. | 登録日 | 2006-02-05 | 公開日 | 2007-02-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir. J.Virol., 81, 2007
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5E8N
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![BU of 5e8n by Molmil](/molmil-images/mine/5e8n) | The structure of the TEIPP associated Trh4 peptide in complex with H-2D(b) | 分子名称: | Beta-2-microglobulin, Ceramide synthase 5, GLYCEROL, ... | 著者 | Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A. | 登録日 | 2015-10-14 | 公開日 | 2016-02-03 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer. J Immunol., 196, 2016
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5L7I
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![BU of 5l7i by Molmil](/molmil-images/mine/5l7i) | Structure of human Smoothened in complex with Vismodegib | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, SODIUM ION, ... | 著者 | Byrne, E.X.B, Sircar, R, Miller, P.S, Hedger, G, Luchetti, G, Nachtergaele, S, Tully, M.D, Mydock-McGrane, L, Covey, D.F, Rambo, R.F, Sansom, M.S.P, Newstead, S, Rohatgi, R, Siebold, C. | 登録日 | 2016-06-03 | 公開日 | 2016-07-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | 主引用文献 | Structural basis of Smoothened regulation by its extracellular domains. Nature, 535, 2016
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6WXN
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![BU of 6wxn by Molmil](/molmil-images/mine/6wxn) | EGFR(T790M/V948R) in complex with LN3844 | 分子名称: | CHLORIDE ION, Epidermal growth factor receptor, MAGNESIUM ION, ... | 著者 | Heppner, D.E, Eck, M.J. | 登録日 | 2020-05-11 | 公開日 | 2021-05-19 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Design of a "Two-in-One" Mutant-Selective Epidermal Growth Factor Receptor Inhibitor That Spans the Orthosteric and Allosteric Sites. J.Med.Chem., 65, 2022
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4O9C
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![BU of 4o9c by Molmil](/molmil-images/mine/4o9c) | Crystal structure of Beta-ketothiolase (PhaA) from Ralstonia eutropha H16 | 分子名称: | Acetyl-CoA acetyltransferase, COENZYME A | 著者 | Kim, E.J, Kim, J, Kim, S, Kim, K.J. | 登録日 | 2014-01-02 | 公開日 | 2014-12-17 | 最終更新日 | 2024-03-20 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure and biochemical characterization of PhaA from Ralstonia eutropha, a polyhydroxyalkanoate-producing bacterium. Biochem.Biophys.Res.Commun., 452, 2014
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2G27
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![BU of 2g27 by Molmil](/molmil-images/mine/2g27) | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring | 分子名称: | METHYL (6-{[(2R)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)-6-OXOPIPERAZIN-2-YL]METHOXY}-1H-INDOL-1-YL)ACETATE, Renin | 著者 | Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P. | 登録日 | 2006-02-15 | 公開日 | 2006-06-13 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring BIOORG.MED.CHEM.LETT., 16, 2006
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8SGO
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![BU of 8sgo by Molmil](/molmil-images/mine/8sgo) | Human GABAA receptor alpha1-beta2-gamma2 subtype in complex with GABA plus pregnenolone sulfate | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GAMMA-AMINO-BUTANOIC ACID, ... | 著者 | Legesse, D.H, Fan, C, Teng, J, Zhuang, Y, Howard, R.J, Noviello, C.M, Lindahl, E, Hibbs, R.E. | 登録日 | 2023-04-12 | 公開日 | 2023-08-30 | 最終更新日 | 2023-11-15 | 実験手法 | ELECTRON MICROSCOPY (2.65 Å) | 主引用文献 | Structural insights into opposing actions of neurosteroids on GABA A receptors. Nat Commun, 14, 2023
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4V2D
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![BU of 4v2d by Molmil](/molmil-images/mine/4v2d) | FLRT2 LRR domain | 分子名称: | FIBRONECTIN LEUCINE RICH TRANSMEMBRANE PROTEIN 2 | 著者 | Seiradake, E, del Toro, D, Nagel, D, Cop, F, Haertl, R, Ruff, T, Seyit-Bremer, G, Harlos, K, Border, E.C, Acker-Palmer, A, Jones, E.Y, Klein, R. | 登録日 | 2014-10-08 | 公開日 | 2014-11-05 | 最終更新日 | 2015-07-22 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Flrt Structure: Balancing Repulsion and Cell Adhesion in Cortical and Vascular Development Neuron, 84, 2014
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2G5P
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![BU of 2g5p by Molmil](/molmil-images/mine/2g5p) | Crystal structure of human dipeptidyl peptidase IV (DPPIV) complexed with cyanopyrrolidine (C5-pro-pro) inhibitor 21ac | 分子名称: | 4-{[(2R,5S)-5-{[(2S)-2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-2-YL]METHOXY}-3-TERT-BUTYLBENZOIC ACID, Dipeptidyl peptidase 4 | 著者 | Longenecker, K.L, Fry, E.H, Lake, M.R, Solomon, L.R, Pei, Z, Li, X. | 登録日 | 2006-02-23 | 公開日 | 2006-07-04 | 最終更新日 | 2017-10-18 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Discovery, structure-activity relationship, and pharmacological evaluation of (5-substituted-pyrrolidinyl-2-carbonyl)-2-cyanopyrrolidines as potent dipeptidyl peptidase IV inhibitors. J.Med.Chem., 49, 2006
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6R60
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![BU of 6r60 by Molmil](/molmil-images/mine/6r60) | |
1VP9
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![BU of 1vp9 by Molmil](/molmil-images/mine/1vp9) | |
1VP3
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![BU of 1vp3 by Molmil](/molmil-images/mine/1vp3) | |
1W27
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![BU of 1w27 by Molmil](/molmil-images/mine/1w27) | |
4F95
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![BU of 4f95 by Molmil](/molmil-images/mine/4f95) | |
5E5M
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![BU of 5e5m by Molmil](/molmil-images/mine/5e5m) | Crystal structure of mouse CTLA-4 in complex with nanobody | 分子名称: | CTLA-4 nanobody, Cytotoxic T-lymphocyte protein 4, GLYCEROL | 著者 | Fedorov, A.A, Fedorov, E.V, Samanta, D, Bonanno, J.B, Almo, S.C. | 登録日 | 2015-10-08 | 公開日 | 2016-10-12 | 最終更新日 | 2019-01-30 | 実験手法 | X-RAY DIFFRACTION (2.182 Å) | 主引用文献 | Crystal structure of mouse CTLA-4 in complex with nanobody To Be Published
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1W3I
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![BU of 1w3i by Molmil](/molmil-images/mine/1w3i) | Sulfolobus solfataricus 2-keto-3-deoxygluconate (KDG) aldolase complex with pyruvate | 分子名称: | 2-KETO-3-DEOXY GLUCONATE ALDOLASE, GLYCEROL, PYRUVIC ACID | 著者 | Theodossis, A, Walden, H, Westwick, E.J, Connaris, H, Lamble, H.J, Hough, D.W, Danson, M.J, Taylor, G.L. | 登録日 | 2004-07-15 | 公開日 | 2004-09-02 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The structural basis for substrate promiscuity in 2-keto-3-deoxygluconate aldolase from the Entner-Doudoroff pathway in Sulfolobus solfataricus. J. Biol. Chem., 279, 2004
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8SEB
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![BU of 8seb by Molmil](/molmil-images/mine/8seb) | Cryo-EM structure of a single loaded human UBA7-UBE2L6-ISG15 adenylate complex | 分子名称: | ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ... | 著者 | Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K. | 登録日 | 2023-04-08 | 公開日 | 2023-10-11 | 実験手法 | ELECTRON MICROSCOPY (3.24 Å) | 主引用文献 | Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer. Nat Commun, 14, 2023
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3KVW
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![BU of 3kvw by Molmil](/molmil-images/mine/3kvw) | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand | 分子名称: | (2Z,3E)-7'-bromo-3-(hydroxyimino)-2'-oxo-1,1',2',3-tetrahydro-2,3'-biindole-5-carboxylic acid, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 2 | 著者 | Filippakopoulos, P, Myrianthopoulos, V, Kritsanida, M, Magiatis, P, Skaltsounis, A.L, Soundararajan, M, Krojer, T, Gileadi, O, Hapka, E, Fedorov, O, Berridge, G, Wang, J, Shrestha, L, Vollmar, M, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Mikros, E, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2009-11-30 | 公開日 | 2010-01-05 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | 主引用文献 | Crystal Structure of dual-specificity tyrosine phosphorylation regulated kinase 2 (DYRK2) in complex with an indirubin ligand To be Published
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2FXD
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![BU of 2fxd by Molmil](/molmil-images/mine/2fxd) | X-ray crystal structure of HIV-1 protease IRM mutant complexed with atazanavir (BMS-232632) | 分子名称: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ... | 著者 | Klei, H.E, Sheriff, S. | 登録日 | 2006-02-04 | 公開日 | 2007-02-20 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir. J.Virol., 81, 2007
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1W2G
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![BU of 1w2g by Molmil](/molmil-images/mine/1w2g) | Crystal Structure Of Mycobacterium Tuberculosis Thymidylate Kinase Complexed With Deoxythymidine (dT) (2.1 A Resolution) | 分子名称: | ACETATE ION, THYMIDINE, THYMIDYLATE KINASE TMK | 著者 | Fioravanti, E, Adam, V, Munier-Lehmann, H, Bourgeois, D. | 登録日 | 2004-07-06 | 公開日 | 2005-01-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | The Crystal Structure of Mycobacterium Tuberculosis Thymidylate Kinase in Complex with 3'-Azidodeoxythymidine Monophosphate Suggests a Mechanism for Competitive Inhibition Biochemistry, 44, 2005
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1W2H
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![BU of 1w2h by Molmil](/molmil-images/mine/1w2h) | Crystal Structure Of Mycobacterium Tuberculosis Thymidylate Kinase Complexed With Azidothymidine Monophosphate (AZT-MP) (2.0 A Resolution) | 分子名称: | 3'-AZIDO-3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ACETATE ION, THYMIDYLATE KINASE TMK | 著者 | Fioravanti, E, Adam, V, Munier-Lehmann, H, Bourgeois, D. | 登録日 | 2004-07-06 | 公開日 | 2005-01-12 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | The crystal structure of Mycobacterium tuberculosis thymidylate kinase in complex with 3'-azidodeoxythymidine monophosphate suggests a mechanism for competitive inhibition. Biochemistry, 44, 2005
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4V6I
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![BU of 4v6i by Molmil](/molmil-images/mine/4v6i) | Localization of the small subunit ribosomal proteins into a 6.1 A cryo-EM map of Saccharomyces cerevisiae translating 80S ribosome | 分子名称: | 18S rRNA, 25S rRNA, 40S ribosomal protein RACK1 (RACK1), ... | 著者 | Armache, J.-P, Jarasch, A, Anger, A.M, Villa, E, Becker, T, Bhushan, S, Jossinet, F, Habeck, M, Dindar, G, Franckenberg, S, Marquez, V, Mielke, T, Thomm, M, Berninghausen, O, Beatrix, B, Soeding, J, Westhof, E, Wilson, D.N, Beckmann, R. | 登録日 | 2010-10-12 | 公開日 | 2014-07-09 | 最終更新日 | 2024-02-28 | 実験手法 | ELECTRON MICROSCOPY (8.8 Å) | 主引用文献 | Cryo-EM structure and rRNA model of a translating eukaryotic 80S ribosome at 5.5-A resolution. Proc.Natl.Acad.Sci.USA, 107, 2010
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1W23
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![BU of 1w23 by Molmil](/molmil-images/mine/1w23) | Crystal structure of phosphoserine aminotransferase from Bacillus alcalophilus | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Dubnovitsky, A, Kapetaniou, E.G, Papageorgiou, A.C. | 登録日 | 2004-06-25 | 公開日 | 2004-12-22 | 最終更新日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | 主引用文献 | Enzyme Adaptation to Alkaline Ph: Atomic Resolution (1.08 A) Structure of Phosphoserine Aminotransferase from Bacillus Alcalophilus Protein Sci., 14, 2005
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4OQI
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![BU of 4oqi by Molmil](/molmil-images/mine/4oqi) | Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutations | 分子名称: | CALCIUM ION, SULFATE ION, TEM-94 ES-beta-lactamase | 著者 | Dellus-Gur, E, Elias, M, Fraser, J.S, Tawfik, D.S. | 登録日 | 2014-02-09 | 公開日 | 2015-05-20 | 最終更新日 | 2018-01-17 | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | 主引用文献 | Negative Epistasis and Evolvability in TEM-1 beta-Lactamase--The Thin Line between an Enzyme's Conformational Freedom and Disorder. J. Mol. Biol., 427, 2015
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4OXR
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![BU of 4oxr by Molmil](/molmil-images/mine/4oxr) | Structure of Staphylococcus pseudintermedius metal-binding protein SitA in complex with Manganese | 分子名称: | MANGANESE (II) ION, Manganese ABC transporter, periplasmic-binding protein SitA | 著者 | Abate, F, Malito, E, Bottomley, M. | 登録日 | 2014-02-06 | 公開日 | 2014-10-29 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Apo, Zn2+-bound and Mn2+-bound structures reveal ligand-binding properties of SitA from the pathogen Staphylococcus pseudintermedius. Biosci.Rep., 34, 2014
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