3DYH
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![BU of 3dyh by Molmil](/molmil-images/mine/3dyh) | T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-721 | 分子名称: | 3-butoxy-1-(2,2-diphosphonoethyl)pyridinium, Farnesyl pyrophosphate synthase, MAGNESIUM ION | 著者 | Cao, R, Gao, Y, Robinson, H, Goddard, A, Oldfield, E. | 登録日 | 2008-07-27 | 公開日 | 2009-05-05 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | 主引用文献 | Lipophilic bisphosphonates as dual farnesyl/geranylgeranyl diphosphate synthase inhibitors: an X-ray and NMR investigation. J.Am.Chem.Soc., 131, 2009
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6FW0
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![BU of 6fw0 by Molmil](/molmil-images/mine/6fw0) | Crystal structure of human monoamine oxidase B (MAO B) in complex with chlorophenyl-chromone-carboxamide | 分子名称: | Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C. | 登録日 | 2018-03-05 | 公開日 | 2018-04-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis. J. Med. Chem., 61, 2018
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1G05
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![BU of 1g05 by Molmil](/molmil-images/mine/1g05) | HETEROCYCLE-BASED MMP INHIBITOR WITH P2'SUBSTITUENTS | 分子名称: | 1-BENZYL-3-(4-METHOXY-BENZENESULFONYL)-6-OXO-HEXAHYDRO-PYRIMIDINE-4-CARBOXYLIC ACID HYDROXYAMIDE, CALCIUM ION, STROMELYSIN-1 PRECURSOR, ... | 著者 | Pikul, S, Dunham, K.M, Almstead, N.G, De, B, Natchus, M.G, Taiwo, Y.O, Williams, L.E, Hynd, B.A, Hsieh, L.C, Janusz, M.J. | 登録日 | 2000-10-05 | 公開日 | 2001-10-05 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Heterocycle-based MMP inhibitors with P2' substituents. Bioorg.Med.Chem.Lett., 11, 2001
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6HIY
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![BU of 6hiy by Molmil](/molmil-images/mine/6hiy) | Cryo-EM structure of the Trypanosoma brucei mitochondrial ribosome - This entry contains the body of the small mitoribosomal subunit in complex with mt-IF-3 | 分子名称: | 9S rRNA, MAGNESIUM ION, SPERMIDINE, ... | 著者 | Ramrath, D.J.F, Niemann, M, Leibundgut, M, Bieri, P, Prange, C, Horn, E.K, Leitner, A, Boehringer, D, Schneider, A, Ban, N. | 登録日 | 2018-08-31 | 公開日 | 2018-09-26 | 最終更新日 | 2019-12-11 | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | 主引用文献 | Evolutionary shift toward protein-based architecture in trypanosomal mitochondrial ribosomes. Science, 362, 2018
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6FWC
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![BU of 6fwc by Molmil](/molmil-images/mine/6fwc) | Crystal structure of human monoamine oxidase B (MAO B) in complex with fluorophenyl-chromone-carboxamide | 分子名称: | Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | 著者 | Reis, J, Manzella, N, Cagide, F, Mialet-Perez, J, Uriarte, E, Parini, A, Borges, F, Binda, C. | 登録日 | 2018-03-06 | 公開日 | 2018-04-25 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Tight-Binding Inhibition of Human Monoamine Oxidase B by Chromone Analogs: A Kinetic, Crystallographic, and Biological Analysis. J. Med. Chem., 61, 2018
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2AM2
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![BU of 2am2 by Molmil](/molmil-images/mine/2am2) | sp protein ligand 2 | 分子名称: | 2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-4H-CYCLOPENTA[B]THIOPHEN-2-YL)-5-DIETHYLSULFAMOYL-BENZAMIDE, UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine ligase, MurF protein | 著者 | Longenecker, K.L, Stamper, G.F, Hajduk, P.J, Fry, E.H, Jakob, C.G, Harlan, J.E, Edalji, R, Bartley, D.M, Walter, K.A, Solomon, L.R. | 登録日 | 2005-08-08 | 公開日 | 2006-01-24 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Structure of MurF from Streptococcus pneumoniae co-crystallized with a small molecule inhibitor exhibits interdomain closure Protein Sci., 14, 2005
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2W1D
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![BU of 2w1d by Molmil](/molmil-images/mine/2w1d) | Structure determination of Aurora Kinase in complex with inhibitor | 分子名称: | 2-(1H-pyrazol-3-yl)-1H-benzimidazole, SERINE/THREONINE-PROTEIN KINASE 6 | 著者 | Howard, S, Berdini, V, Boulstridge, J.A, Carr, M.G, Cross, D.M, Curry, J, Devine, L.A, Early, T.R, Fazal, L, Gill, A.L, Heathcote, M, Maman, S, Matthews, J.E, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Rees, D.C, Reule, M, Tisi, D, Williams, G, Vinkovic, M, Wyatt, P.G. | 登録日 | 2008-10-17 | 公開日 | 2009-01-27 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.97 Å) | 主引用文献 | Fragment-Based Discovery of the Pyrazol-4-Yl Urea (at9283), a Multitargeted Kinase Inhibitor with Potent Aurora Kinase Activity. J.Med.Chem., 52, 2009
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6HN2
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![BU of 6hn2 by Molmil](/molmil-images/mine/6hn2) | Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 5 | 分子名称: | 14-3-3 protein sigma, 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide, Estrogen Receptor, ... | 著者 | Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C. | 登録日 | 2018-09-13 | 公開日 | 2019-02-27 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers. J. Am. Chem. Soc., 141, 2019
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1G1S
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![BU of 1g1s by Molmil](/molmil-images/mine/1g1s) | P-SELECTIN LECTIN/EGF DOMAINS COMPLEXED WITH PSGL-1 PEPTIDE | 分子名称: | (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-[beta-D-galactopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-galactopyranose, P-SELECTIN, ... | 著者 | Somers, W.S, Camphausen, R.T. | 登録日 | 2000-10-13 | 公開日 | 2001-10-13 | 最終更新日 | 2024-04-03 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Insights into the molecular basis of leukocyte tethering and rolling revealed by structures of P- and E-selectin bound to SLe(X) and PSGL-1. Cell(Cambridge,Mass.), 103, 2000
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5AOP
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![BU of 5aop by Molmil](/molmil-images/mine/5aop) | SULFITE REDUCTASE STRUCTURE REDUCED WITH CRII EDTA, 5-COORDINATE SIROHEME, SIROHEME FEII, [4FE-4S] +1 | 分子名称: | IRON/SULFUR CLUSTER, POTASSIUM ION, SIROHEME, ... | 著者 | Crane, B.R, Getzoff, E.D. | 登録日 | 1997-07-10 | 公開日 | 1998-01-14 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structures of the siroheme- and Fe4S4-containing active center of sulfite reductase in different states of oxidation: heme activation via reduction-gated exogenous ligand exchange. Biochemistry, 36, 1997
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3ZWU
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![BU of 3zwu by Molmil](/molmil-images/mine/3zwu) | Pseudomonas fluorescens PhoX in complex with vanadate, a transition state analogue | 分子名称: | ALKALINE PHOSPHATASE PHOX, CALCIUM ION, CHLORIDE ION, ... | 著者 | Yong, S.C, Roversi, P, Lillington, J.E.D, Zeldin, O.B, Garman, E.F, Lea, S.M, Berks, B.C. | 登録日 | 2011-08-02 | 公開日 | 2012-08-08 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.39 Å) | 主引用文献 | A Complex Iron-Calcium Cofactor Catalyzing Phosphotransfer Chemistry Science, 345, 2014
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2OF5
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![BU of 2of5 by Molmil](/molmil-images/mine/2of5) | Oligomeric Death Domain complex | 分子名称: | Death domain-containing protein CRADD, Leucine-rich repeat and death domain-containing protein | 著者 | Park, H.H, Logette, E, Raunser, S, Cuenin, S, Walz, T, Tschopp, J, Wu, H. | 登録日 | 2007-01-02 | 公開日 | 2007-04-17 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Death domain assembly mechanism revealed by crystal structure of the oligomeric PIDDosome core complex. Cell(Cambridge,Mass.), 128, 2007
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6HRL
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![BU of 6hrl by Molmil](/molmil-images/mine/6hrl) | Crystal structure of the Kelch domain of human KLHL17 | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Kelch-like protein 17, ... | 著者 | Chen, Z, Williams, E, Sorrell, F.J, Newman, J.A, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, F, Edwards, C.H, Bountra, C, Bullock, A.N. | 登録日 | 2018-09-27 | 公開日 | 2018-10-17 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Crystal structure of the Kelch domain of human KLHL17 To Be Published
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6GAZ
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![BU of 6gaz by Molmil](/molmil-images/mine/6gaz) | Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. This file contains the 28S ribosomal subunit. | 分子名称: | 12S ribosomal RNA, mitochondrial, 28S ribosomal protein S18b, ... | 著者 | Kummer, E, Leibundgut, M, Boehringer, D, Ban, N. | 登録日 | 2018-04-13 | 公開日 | 2018-08-08 | 最終更新日 | 2019-12-18 | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | 主引用文献 | Unique features of mammalian mitochondrial translation initiation revealed by cryo-EM. Nature, 560, 2018
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2VNT
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![BU of 2vnt by Molmil](/molmil-images/mine/2vnt) | UROKINASE-TYPE PLASMINOGEN ACTIVATOR INHIBITOR COMPLEX WITH A 1-(7- SULPHOAMIDOISOQUINOLINYL)GUANIDINE | 分子名称: | 1-({4-CHLORO-1-[(DIAMINOMETHYLIDENE)AMINO]ISOQUINOLIN-7-YL}SULFONYL)-D-PROLINE, SULFATE ION, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | 著者 | Fish, P.V, Barber, C.G, Brown, D.G, Butt, R, Henry, B.T, Horne, V, Huggins, J.P, Mccleverty, D, Phillips, C, Webster, R, Dickinson, R.P, Collis, M.G, King, E, O'Gara, M, Mcintosh, F. | 登録日 | 2008-02-07 | 公開日 | 2008-02-19 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Selective Urokinase-Type Plasminogen Activator (Upa) Inhibitors 4. 1-(7-Sulphonamidoisoquinolinyl) Guanidines J.Med.Chem., 50, 2007
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3HQW
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![BU of 3hqw by Molmil](/molmil-images/mine/3hqw) | Discovery of novel inhibitors of PDE10A | 分子名称: | 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole, MAGNESIUM ION, ZINC ION, ... | 著者 | Pandit, J, Marr, E.S. | 登録日 | 2009-06-08 | 公開日 | 2009-08-04 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Discovery of a Novel Class of Phosphodiesterase 10A Inhibitors and Identification of Clinical Candidate 2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline (PF-2545920) for the Treatment of Schizophrenia J.Med.Chem., 52, 2009
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4J1Z
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![BU of 4j1z by Molmil](/molmil-images/mine/4j1z) | |
4RSV
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![BU of 4rsv by Molmil](/molmil-images/mine/4rsv) | |
4EOI
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![BU of 4eoi by Molmil](/molmil-images/mine/4eoi) | Thr 160 phosphorylated CDK2 K89D, Q131E - human cyclin A3 complex with the inhibitor RO3306 | 分子名称: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | 著者 | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | 登録日 | 2012-04-14 | 公開日 | 2013-02-06 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOP
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![BU of 4eop by Molmil](/molmil-images/mine/4eop) | Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with the inhibitor RO3306 | 分子名称: | (5E)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one, Cyclin-A2, Cyclin-dependent kinase 2, ... | 著者 | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | 登録日 | 2012-04-14 | 公開日 | 2013-02-06 | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | 主引用文献 | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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4EOM
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![BU of 4eom by Molmil](/molmil-images/mine/4eom) | Thr 160 phosphorylated CDK2 H84S, Q85M, Q131E - human cyclin A3 complex with ATP | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ... | 著者 | Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D. | 登録日 | 2012-04-14 | 公開日 | 2013-02-06 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity. Chem.Biol., 19, 2012
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6G17
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![BU of 6g17 by Molmil](/molmil-images/mine/6g17) | Non-aged form of Torpedo californica acetylcholinesterase inhibited by nerve agent tabun | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, ... | 著者 | Santoni, G, De la Mora, E, de Souza, J, Silman, I, Sussman, J, Baati, R, Weik, M, Nachon, F. | 登録日 | 2018-03-20 | 公開日 | 2018-08-29 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. J. Med. Chem., 61, 2018
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4Q9R
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![BU of 4q9r by Molmil](/molmil-images/mine/4q9r) | Crystal structure of an RNA aptamer bound to trifluoroethyl-ligand analog in complex with Fab | 分子名称: | (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2-methyl-3-(2,2,2-trifluoroethyl)-3,5-dihydro-4H-imidazol-4-one, Fab BL3-6, HEAVY CHAIN, ... | 著者 | Huang, H, Suslov, N.B, Li, N.-S, Shelke, S.A, Evans, M.E, Koldobskaya, Y, Rice, P.A, Piccirilli, J.A. | 登録日 | 2014-05-01 | 公開日 | 2014-06-18 | 最終更新日 | 2017-07-26 | 実験手法 | X-RAY DIFFRACTION (3.12 Å) | 主引用文献 | A G-quadruplex-containing RNA activates fluorescence in a GFP-like fluorophore. Nat.Chem.Biol., 10, 2014
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5B02
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![BU of 5b02 by Molmil](/molmil-images/mine/5b02) | Structure of the prenyltransferase MoeN5 with a fusion protein tag of Sso7d | 分子名称: | MoeN5,DNA-binding protein 7d | 著者 | Ko, T.-P, Zhang, L, Chen, C.-C, Guo, R.-T, Oldfield, E.O. | 登録日 | 2015-10-27 | 公開日 | 2016-03-23 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | 主引用文献 | Moenomycin Biosynthesis: Structure and Mechanism of Action of the Prenyltransferase MoeN5. Angew.Chem.Int.Ed.Engl., 55, 2016
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4K4F
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![BU of 4k4f by Molmil](/molmil-images/mine/4k4f) | Co-crystal structure of TNKS1 with compound 18 [4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide] | 分子名称: | 4-[(4S)-5,5-dimethyl-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-N-(quinolin-8-yl)benzamide, Tankyrase-1, ZINC ION | 著者 | Huang, X, Bregman, H, Wilson, C, DiMauro, E, Gunaydin, H. | 登録日 | 2013-04-12 | 公開日 | 2013-06-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Discovery of novel, induced-pocket binding oxazolidinones as potent, selective, and orally bioavailable tankyrase inhibitors. J.Med.Chem., 56, 2013
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