3WXU
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8K72
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![BU of 8k72 by Molmil](/molmil-images/mine/8k72) | Factor-inhibiting hypoxia-inducible factor in complex with Zn(II) and 2-(3-hydroxy-2-((3-(phenylsulfonamido)propanoyl)imino)-2,3-dihydrothiazol-4-yl)acetic acid | 分子名称: | 2-[(2~{Z})-3-oxidanyl-2-[3-(phenylsulfonylamino)propanoylimino]-1,3-thiazol-4-yl]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ... | 著者 | Nakashima, Y, Corner, T.P, Teo, R.Z.R, Brewitz, L, Schofield, C.J. | 登録日 | 2023-07-26 | 公開日 | 2023-12-13 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structure-guided optimisation of N -hydroxythiazole-derived inhibitors of factor inhibiting hypoxia-inducible factor-alpha. Chem Sci, 14, 2023
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6CIW
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8BN1
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![BU of 8bn1 by Molmil](/molmil-images/mine/8bn1) | The structures of Ace2 in complex with bicyclic peptide inhibitor | 分子名称: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-4PH-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2, ... | 著者 | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | 登録日 | 2022-11-11 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | 主引用文献 | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2. J.Med.Chem., 66, 2023
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8B9P
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![BU of 8b9p by Molmil](/molmil-images/mine/8b9p) | ACE2 in complex with bicyclic peptide inhibitor | 分子名称: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-GLY-ARG-GLN-PHE-CYS-HIS-THR-LEU-MET-PRO-ARG-HIS-LEU-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2 | 著者 | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | 登録日 | 2022-10-06 | 公開日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | 主引用文献 | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2. J.Med.Chem., 66, 2023
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8BO7
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![BU of 8bo7 by Molmil](/molmil-images/mine/8bo7) | COAGULATION FACTOR XI PROTEASE DOMAIN IN COMPLEX WITH ACTIVE SITE INHIBITOR 34 | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-[[(2~{S})-2-[4-(5-chloranyl-2-cyano-phenyl)-3-methoxy-6-oxidanylidene-2,5-dihydropyridin-1-yl]-3-[(2~{S})-oxan-2-yl]propanoyl]amino]benzoic acid, CITRIC ACID, ... | 著者 | Schaefer, M, Roehrig, S, Ackerstaff, J, Nunez, E.J, Gericke, K.M, Meier, K, Tersteegen, A, Stampfuss, J, Ellerbrock, P, Meibom, D, Lang, D, Heitmeier, S, Hillisch, A. | 登録日 | 2022-11-14 | 公開日 | 2023-09-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Design and Preclinical Characterization Program toward Asundexian (BAY 2433334), an Oral Factor XIa Inhibitor for the Prevention and Treatment of Thromboembolic Disorders. J.Med.Chem., 66, 2023
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8BFW
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![BU of 8bfw by Molmil](/molmil-images/mine/8bfw) | The structures of Ace2 in complex with bicyclic peptide inhibitor | 分子名称: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one, ALA-CYS-VAL-ARG-SER-HIS-CYS-SER-SER-LEU-LEU-PRO-ARG-ILE-HIS-CYS-ALA-NH2, Processed angiotensin-converting enzyme 2 | 著者 | Brear, P, Lulla, A, Harman, M, Dods, R, Chen, L, Bezerra, G, Demydchuk, Y, Stanway, S, Hyvonen, M. | 登録日 | 2022-10-27 | 公開日 | 2023-10-04 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | 主引用文献 | Structure-Guided Chemical Optimization of Bicyclic Peptide ( Bicycle ) Inhibitors of Angiotensin-Converting Enzyme 2. J.Med.Chem., 66, 2023
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4DAJ
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![BU of 4daj by Molmil](/molmil-images/mine/4daj) | Structure of the M3 Muscarinic Acetylcholine Receptor | 分子名称: | (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, Muscarinic acetylcholine receptor M3, Lysozyme, ... | 著者 | Kruse, A.C, Hu, J, Pan, A.C, Arlow, D.H, Rosenbaum, D.M, Rosemond, E, Green, H.F, Liu, T, Chae, P.S, Dror, R.O, Shaw, D.E, Weis, W.I, Wess, J, Kobilka, B. | 登録日 | 2012-01-12 | 公開日 | 2012-02-22 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (3.4 Å) | 主引用文献 | Structure and dynamics of the M3 muscarinic acetylcholine receptor. Nature, 482, 2012
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6FYI
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![BU of 6fyi by Molmil](/molmil-images/mine/6fyi) | X-ray Structure of CLK2-KD(130-496)/TG003 at 2.6A | 分子名称: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one, Dual specificity protein kinase CLK2 | 著者 | Kallen, J. | 登録日 | 2018-03-12 | 公開日 | 2018-07-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | X-ray Structures and Feasibility Assessment of CLK2 Inhibitors for Phelan-McDermid Syndrome. ChemMedChem, 13, 2018
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1RNO
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![BU of 1rno by Molmil](/molmil-images/mine/1rno) | RIBONUCLEASE A CRYSTALLIZED FROM 80% AMMONIUM SULPHATE | 分子名称: | RIBONUCLEASE A, SULFATE ION | 著者 | Fedorov, A.A, Josef-Mccarthy, D, Graf, I, Anguelova, D, Fedorov, E.V, Almo, S.C. | 登録日 | 1995-11-08 | 公開日 | 1996-04-03 | 最終更新日 | 2019-08-14 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
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1GPL
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![BU of 1gpl by Molmil](/molmil-images/mine/1gpl) | RP2 LIPASE | 分子名称: | CALCIUM ION, RP2 LIPASE | 著者 | Withers-Martinez, C, Cambillau, C. | 登録日 | 1996-07-13 | 公開日 | 1997-02-12 | 最終更新日 | 2011-07-13 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | A pancreatic lipase with a phospholipase A1 activity: crystal structure of a chimeric pancreatic lipase-related protein 2 from guinea pig. Structure, 4, 1996
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5NWZ
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4U5D
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![BU of 4u5d by Molmil](/molmil-images/mine/4u5d) | Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... | 著者 | Chen, L, Gouaux, E. | 登録日 | 2014-07-25 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.5757 Å) | 主引用文献 | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
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4U5B
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![BU of 4u5b by Molmil](/molmil-images/mine/4u5b) | Crystal structure of GluA2 A622T, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... | 著者 | Chen, L, Gouaux, E. | 登録日 | 2014-07-25 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.5037 Å) | 主引用文献 | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
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4U5F
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![BU of 4u5f by Molmil](/molmil-images/mine/4u5f) | Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex, GluA2cryst2 construct | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... | 著者 | Chen, L, Gouaux, E. | 登録日 | 2014-07-24 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.7 Å) | 主引用文献 | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
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4U5C
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![BU of 4u5c by Molmil](/molmil-images/mine/4u5c) | Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist FW and postitive modulator (R,R)-2b complex | 分子名称: | 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Con-ikot-ikot, ... | 著者 | Chen, L, Gouaux, E. | 登録日 | 2014-07-25 | 公開日 | 2014-08-13 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (3.6883 Å) | 主引用文献 | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
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4U5E
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![BU of 4u5e by Molmil](/molmil-images/mine/4u5e) | Crystal structure of GluA2 T625G, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... | 著者 | Chen, L, Gouaux, E. | 登録日 | 2014-07-25 | 公開日 | 2014-08-13 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (3.5073 Å) | 主引用文献 | X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
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2BCE
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![BU of 2bce by Molmil](/molmil-images/mine/2bce) | CHOLESTEROL ESTERASE FROM BOS TAURUS | 分子名称: | CHOLESTEROL ESTERASE | 著者 | Chen, J.C.-H, Miercke, L.J.W, Krucinski, J, Starr, J.R, Saenz, G, Wang, X, Spilburg, C.A, Lange, L.G, Ellsworth, J.L, Stroud, R.M. | 登録日 | 1998-01-28 | 公開日 | 1999-02-02 | 最終更新日 | 2023-08-09 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Structure of bovine pancreatic cholesterol esterase at 1.6 A: novel structural features involved in lipase activation. Biochemistry, 37, 1998
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1Z7X
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![BU of 1z7x by Molmil](/molmil-images/mine/1z7x) | X-ray structure of human ribonuclease inhibitor complexed with ribonuclease I | 分子名称: | CITRIC ACID, Ribonuclease I, Ribonuclease inhibitor | 著者 | McCoy, J.G, Johnson, R.J, Raines, R.T, Bitto, E, Bingman, C.A, Wesenberg, G.E, Allard, S.T.M, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | 登録日 | 2005-03-28 | 公開日 | 2005-06-21 | 最終更新日 | 2023-08-23 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Inhibition of human pancreatic ribonuclease by the human ribonuclease inhibitor protein. J.Mol.Biol., 368, 2007
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3CFK
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![BU of 3cfk by Molmil](/molmil-images/mine/3cfk) | Crystal structure of catalytic elimination antibody 34E4, triclinic crystal form | 分子名称: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, CATALYTIC ANTIBODY FAB 34E4 HEAVY CHAIN,Uncharacterized protein, ... | 著者 | Debler, E.W, Wilson, I.A. | 登録日 | 2008-03-04 | 公開日 | 2008-04-15 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Conformational isomerism can limit antibody catalysis. J.Biol.Chem., 283, 2008
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7S3S
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5VSZ
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7S3K
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6EMT
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8QC2
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![BU of 8qc2 by Molmil](/molmil-images/mine/8qc2) | Crystal structure of NAD-dependent glycoside hydrolase from Flavobacterium sp. (strain K172) in complex with co-factor NAD+ and sulfoquinovose (SQ) | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | 著者 | Pickles, I.B, Sharma, M, Davies, G.J. | 登録日 | 2023-08-25 | 公開日 | 2023-12-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Widespread Family of NAD + -Dependent Sulfoquinovosidases at the Gateway to Sulfoquinovose Catabolism. J.Am.Chem.Soc., 145, 2023
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