1ZTO
 
 | | INACTIVATION GATE OF POTASSIUM CHANNEL RCK4, NMR, 8 STRUCTURES | | 分子名称: | POTASSIUM CHANNEL PROTEIN RCK4 | | 著者 | Antz, C, Geyer, M, Fakler, B, Schott, M, Frank, R, Guy, H.R, Ruppersberg, J.P, Kalbitzer, H.R. | | 登録日 | 1996-11-15 | | 公開日 | 1997-06-05 | | 最終更新日 | 2022-03-02 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structure of inactivation gates from mammalian voltage-dependent potassium channels.
Nature, 385, 1997
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1ZTN
 | | INACTIVATION GATE OF POTASSIUM CHANNEL RAW3, NMR, 8 STRUCTURES | | 分子名称: | Potassium voltage-gated channel subfamily C member 4 | | 著者 | Antz, C, Geyer, M, Fakler, B, Schott, M, Frank, R, Guy, H.R, Ruppersberg, J.P, Kalbitzer, H.R. | | 登録日 | 1996-11-15 | | 公開日 | 1997-06-05 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | NMR structure of inactivation gates from mammalian voltage-dependent potassium channels.
Nature, 385, 1997
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1B4G
 | | CONTROL OF K+ CHANNEL GATING BY PROTEIN PHOSPHORYLATION: STRUCTURAL SWITCHES OF THE INACTIVATION GATE, NMR, 22 STRUCTURES | | 分子名称: | POTASSIUM CHANNEL | | 著者 | Antz, C, Bauer, T, Kalbacher, H, Frank, R, Covarrubias, M, Kalbitzer, H.R, Ruppersberg, J.P, Baukrowitz, T, Fakler, B. | | 登録日 | 1998-12-22 | | 公開日 | 1999-04-27 | | 最終更新日 | 2022-02-16 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Control of K+ channel gating by protein phosphorylation: structural switches of the inactivation gate.
Nat.Struct.Biol., 6, 1999
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1B4I
 | | Control of K+ Channel Gating by protein phosphorylation: structural switches of the inactivation gate, NMR, 22 structures | | 分子名称: | POTASSIUM CHANNEL | | 著者 | Antz, C, Bauer, T, Kalbacher, H, Frank, R, Covarrubias, M, Kalbitzer, H.R, Ruppersberg, J.P, Baukrowitz, T, Fakler, B. | | 登録日 | 1998-12-22 | | 公開日 | 1999-04-27 | | 最終更新日 | 2022-03-23 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Control of K+ channel gating by protein phosphorylation: structural switches of the inactivation gate.
Nat.Struct.Biol., 6, 1999
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1QQQ
 | | CRYSTAL STRUCTURE ANALYSIS OF SER254 MUTANT OF ESCHERICHIA COLI THYMIDYLATE SYNTHASE | | 分子名称: | SULFATE ION, THYMIDYLATE SYNTHASE | | 著者 | Fantz, C, Shaw, D, Jennings, W, Forsthoefel, A, Kitchens, M, Phan, J, Minor, W, Lebioda, L, Berger, F.G, Spencer, H.T. | | 登録日 | 1999-06-07 | | 公開日 | 1999-06-14 | | 最終更新日 | 2022-04-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Drug-resistant variants of Escherichia coli thymidylate synthase: effects of substitutions at Pro-254.
Mol.Pharmacol., 57, 2000
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1J90
 | | Crystal Structure of Drosophila Deoxyribonucleoside Kinase | | 分子名称: | 2'-DEOXYCYTIDINE, Deoxyribonucleoside kinase, SULFATE ION | | 著者 | Johansson, K, Ramaswamy, S, Ljungkrantz, C, Knecht, W, Piskur, J, Munch-Petersen, B, Eriksson, S, Eklund, H. | | 登録日 | 2001-05-23 | | 公開日 | 2001-11-28 | | 最終更新日 | 2024-02-07 | | 実験手法 | X-RAY DIFFRACTION (2.56 Å) | | 主引用文献 | Structural basis for substrate specificities of cellular deoxyribonucleoside kinases.
Nat.Struct.Biol., 8, 2001
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2OCP
 | | Crystal Structure of Human Deoxyguanosine Kinase | | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxyguanosine kinase | | 著者 | Johansson, K, Ramaswamy, S, Ljungkrantz, C, Knecht, W, Piskur, J, Munch-Petersen, B, Eriksson, S, Eklund, H. | | 登録日 | 2006-12-21 | | 公開日 | 2007-01-16 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Structural Basis for Substrate Specificities of Cellular Deoxyribonucleoside Kinases.
Nat.Struct.Biol., 8, 2001
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6DMI
 | | A multiconformer ligand model of 5T5 bound to BACE-1 | | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | | 著者 | Hudson, B.M, van Zundert, G, Keedy, D.A, Fonseca, R, Heliou, A, Suresh, P, Borrelli, K, Day, T, Fraser, J.S, van den Bedem, H. | | 登録日 | 2018-06-05 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps.
J. Med. Chem., 61, 2018
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5I2R
 | | human PDE10A in complex with 3-(2-phenylpyrazol-3-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4-one | | 分子名称: | 3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one, MAGNESIUM ION, ZINC ION, ... | | 著者 | Joseph, C, Koerner, M, Rudolph, M.G. | | 登録日 | 2016-02-09 | | 公開日 | 2016-03-09 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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5EDE
 | | human PDE10A in complex with 1-(4-Chloro-phenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide at 2.2A | | 分子名称: | 1-(4-chlorophenyl)-3-methyl-~{N}-[[(2~{R})-oxolan-2-yl]methyl]thieno[2,3-c]pyrazole-5-carboxamide, GLYCEROL, MAGNESIUM ION, ... | | 著者 | Joseph, C, Rudolph, M.G. | | 登録日 | 2015-10-21 | | 公開日 | 2016-03-09 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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5EDH
 | | human PDE10A, 8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine, 2.03A, H3, Rfree=22.7% | | 分子名称: | 8-ethyl-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]pyrimidine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Joseph, C, Rudolph, M.G. | | 登録日 | 2015-10-21 | | 公開日 | 2016-03-09 | | 最終更新日 | 2016-05-25 | | 実験手法 | X-RAY DIFFRACTION (2.03 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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3U81
 | | Crystal structure of a SAH-bound semi-holo form of rat Catechol-O-methyltransferase | | 分子名称: | Catechol O-methyltransferase, POTASSIUM ION, S-ADENOSYL-L-HOMOCYSTEINE | | 著者 | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | 登録日 | 2011-10-15 | | 公開日 | 2012-02-01 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.13 Å) | | 主引用文献 | Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors.
Acta Crystallogr.,Sect.D, 68, 2012
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8FQ7
 | | Nanobody with WIW inserted in CDR3 loop to Inhibit Growth of Alzheimer's Tau fibrils | | 分子名称: | GLYCEROL, Nanobody with WIW insert in CDR3 loop to target tau fibrils | | 著者 | Abskharon, R, Sawaya, M.R, Cascio, D.C, Eisenberg, D.S. | | 登録日 | 2023-01-05 | | 公開日 | 2023-10-04 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Structure-based design of nanobodies that inhibit seeding of Alzheimer's patient-extracted tau fibrils.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5EDG
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5F03
 | | TRYPTASE B2 IN COMPLEX WITH 5-(3-Aminomethyl-phenoxymethyl)-3-[3-(2-chloro-pyridin-3-ylethynyl)-phenyl]-oxazolidin-2-one; compound with trifluoro-acetic acid | | 分子名称: | (5~{S})-5-[[3-(aminomethyl)phenoxy]methyl]-3-[3-[2-(2-chloranylpyridin-3-yl)ethynyl]phenyl]-1,3-oxazolidin-2-one, Tryptase beta-2 | | 著者 | Banner, D, Benz, J, Joseph, C, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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5EDI
 | | human PDE10A, 6-Chloro-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-2H-[1,2,4]triazol-3-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyridine, 2.20A, H3, Rfree=23.5% | | 分子名称: | 6-chloranyl-5,8-dimethyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine, MAGNESIUM ION, ZINC ION, ... | | 著者 | Joseph, C, Rudolph, M.G. | | 登録日 | 2015-10-21 | | 公開日 | 2016-03-09 | | 最終更新日 | 2016-05-25 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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3NWE
 | | Rat COMT in complex with a methylated desoxyribose bisubstrate-containing inhibitor avoids hydroxyl group | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-(4-fluorophenyl)-2,3-dihydroxy-N-[(E)-3-[(2R,3R,4R,5R)-4-hydroxy-3-methyl-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]prop-2-enyl]benzamide, CHLORIDE ION, ... | | 著者 | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | 登録日 | 2010-07-09 | | 公開日 | 2011-08-03 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors
Acta Crystallogr.,Sect.D, 68, 2012
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3NWB
 | | Rat COMT in complex with a fluorinated desoxyribose-containing bisubstrate inhibitor avoids hydroxyl group | | 分子名称: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, Catechol O-methyltransferase, ... | | 著者 | Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G. | | 登録日 | 2010-07-09 | | 公開日 | 2011-08-03 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Catechol-O-methyltransferase in complex with substituted 3'-deoxyribose bisubstrate inhibitors
Acta Crystallogr.,Sect.D, 68, 2012
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5EDC
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5EZZ
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (4S)-4-[3-(5-chloro-3-pyridyl)phenyl]-4-[4-(difluoromethoxy)-3-methyl-phenyl]-5H-oxazol-2-amine | | 分子名称: | (4~{S})-4-[4-[bis(fluoranyl)methoxy]-3-methyl-phenyl]-4-[3-(5-chloranylpyridin-3-yl)phenyl]-5~{H}-1,3-oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2016-05-25 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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5F00
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH 5-[3-[(3-chloro-8-quinolyl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine | | 分子名称: | (5~{R})-5-[3-[(3-chloranylquinolin-8-yl)amino]phenyl]-5-methyl-2,6-dihydro-1,4-oxazin-3-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2017-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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5F02
 | | CATHEPSIN L IN COMPLEX WITH (2S,4R)-4-(2-Chloro-4-methoxy-benzenesulfonyl)-1-[3-(5-chloro-pyridin-2-yl)-azetidine-3-carbonyl]-pyrrolidine-2-carboxylic acid (1-cyano-cyclopropyl)-amide | | 分子名称: | (2~{S},4~{R})-4-[(2-chloranyl-4-methoxy-phenyl)-bis(oxidanyl)-$l^{4}-sulfanyl]-1-[3-(5-chloranylpyridin-2-yl)azetidin-3-yl]carbonyl-~{N}-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, Cathepsin L1, GLYCEROL | | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2016-05-25 | | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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5EZX
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH {(1R,2R)-2-[(R)-2-Amino-4-(4-difluoromethoxy-phenyl)-4,5-dihydro-oxazol-4-yl]-cyclopropyl}-(5-chloro-pyridin-3-yl)-methanone | | 分子名称: | Beta-secretase 1, DIMETHYL SULFOXIDE, SODIUM ION, ... | | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2016-05-25 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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5F01
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH (1SR,2SR)-2-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-1,3-oxazin-4-yl)-N-(3-chloroquinolin-8-yl)cyclopropanecarboxamide | | 分子名称: | (1~{R},2~{R})-2-[(4~{R})-2-azanyl-5,5-bis(fluoranyl)-4-methyl-6~{H}-1,3-oxazin-4-yl]-~{N}-(3-chloranylquinolin-8-yl)cyclopropane-1-carboxamide, ACETATE ION, Beta-secretase 1, ... | | 著者 | Banner, D, Benz, J, Stihle, M, Kuglstatter, A. | | 登録日 | 2015-11-27 | | 公開日 | 2016-02-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.52 Å) | | 主引用文献 | A Real-World Perspective on Molecular Design.
J.Med.Chem., 59, 2016
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5EDB
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