4FVT
 
 | | Human SIRT3 bound to Ac-ACS peptide and Carba-NAD | | 分子名称: | Acetylated ACS2 peptide, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Dai, H. | | 登録日 | 2012-06-29 | | 公開日 | 2012-08-15 | | 最終更新日 | 2012-09-19 | | 実験手法 | X-RAY DIFFRACTION (2.47 Å) | | 主引用文献 | Synthesis of Carba-NAD and the Structures of Its Ternary Complexes with SIRT3 and SIRT5.
J.Org.Chem., 77, 2012
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1XCW
 | | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-amylase, ... | | 著者 | Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D. | | 登録日 | 2004-09-03 | | 公開日 | 2004-12-07 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
Biochemistry, 44, 2005
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1XD0
 | | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED PENTASACCHARIDE, Alpha-amylase, ... | | 著者 | Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D. | | 登録日 | 2004-09-03 | | 公開日 | 2004-12-07 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
Biochemistry, 44, 2005
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1XD1
 | | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACARBOSE DERIVED HEXASACCHARIDE, Alpha-amylase, ... | | 著者 | Li, C, Begum, A, Numao, S, Park, K.H, Withers, S.G, Brayer, G.D. | | 登録日 | 2004-09-03 | | 公開日 | 2004-12-07 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Acarbose Rearrangement Mechanism Implied by the Kinetic and Structural Analysis of Human Pancreatic alpha-Amylase in Complex with Analogues and Their Elongated Counterparts
Biochemistry, 44, 2005
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3CRR
 | | Structure of tRNA Dimethylallyltransferase: RNA Modification through a Channel | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIPHOSPHATE, ... | | 著者 | Huang, R.H, Xie, W, Zhou, C. | | 登録日 | 2008-04-07 | | 公開日 | 2008-04-29 | | 最終更新日 | 2024-02-21 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Structure of tRNA Dimethylallyltransferase: RNA Modification
through a Channel
J.Mol.Biol., 367, 2007
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1JIM
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4EZK
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2FI4
 | | Crystal structure of a BPTI variant (Cys14->Ser) in complex with trypsin | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | | 著者 | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | | 登録日 | 2005-12-27 | | 公開日 | 2006-01-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 382, 2008
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4EZL
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4C0A
 | | Arf1(Delta1-17)in complex with BRAG2 Sec7-PH domain | | 分子名称: | ADP-RIBOSYLATION FACTOR 1, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, IQ MOTIF AND SEC7 DOMAIN-CONTAINING PROTEIN 1 | | 著者 | Aizel, K, Biou, V, Navaza, J, Duarte, L, Campanacci, V, Cherfils, J, Zeghouf, M. | | 登録日 | 2013-08-01 | | 公開日 | 2013-09-25 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Integrated conformational and lipid-sensing regulation of endosomal ArfGEF BRAG2.
PLoS Biol., 11, 2013
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4GB9
 | | Potent and Highly Selective Benzimidazole Inhibitors of PI3K-delta | | 分子名称: | 2-[1-({2-[2-(dimethylamino)-1H-benzimidazol-1-yl]-9-methyl-6-(morpholin-4-yl)-9H-purin-8-yl}methyl)piperidin-4-yl]propan-2-ol, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | | 著者 | Murray, J.M. | | 登録日 | 2012-07-26 | | 公開日 | 2012-08-22 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.438 Å) | | 主引用文献 | Potent and highly selective benzimidazole inhibitors of PI3-kinase delta.
J.Med.Chem., 55, 2012
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4LYN
 | | Crystal structure of cyclin-dependent kinase 2 (cdk2-wt) complex with (2s)-n-(5-(((5-tert-butyl-1,3-oxazol-2-yl)methyl)sulfanyl)-1,3-thiazol-2-yl)-2-phenylpropanamide | | 分子名称: | (2S)-N-(5-{[(5-tert-butyl-1,3-oxazol-2-yl)methyl]sulfanyl}-1,3-thiazol-2-yl)-2-phenylpropanamide, Cyclin-dependent kinase 2 | | 著者 | Sack, J.S. | | 登録日 | 2013-07-31 | | 公開日 | 2013-10-02 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Discovery of Aminothiazole Inhibitors of Cyclin-Dependent Kinase 2: Synthesis, X-Ray Crystallographic Analysis, and Biological Activities
J.Med.Chem., 45, 2002
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2FI5
 | | Crystal structure of a BPTI variant (Cys38->Ser) in complex with trypsin | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, Cationic trypsin, ... | | 著者 | Zakharova, E, Horvath, M.P, Goldenberg, D.P. | | 登録日 | 2005-12-27 | | 公開日 | 2006-01-24 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor.
J.Mol.Biol., 382, 2008
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1MMJ
 | | Porcine pancreatic elastase complexed with a potent peptidyl inhibitor, FR136706 | | 分子名称: | 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID, CALCIUM ION, SULFATE ION, ... | | 著者 | Kinoshita, T. | | 登録日 | 2002-09-04 | | 公開日 | 2002-12-23 | | 最終更新日 | 2017-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | True interaction mode of porcine pancreatic elastase with FR136706, a
potent peptidyl inhibitor
Bioorg.Med.Chem.Lett., 13, 2003
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7EEH
 | | Selenomethionine labeled Fe(II)/(alpha)ketoglutarate-dependent dioxygenase TqaL | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FE (III) ION, TqaL | | 著者 | Bunno, R, Mori, T, Awakawa, T, Abe, I. | | 登録日 | 2021-03-18 | | 公開日 | 2021-05-26 | | 最終更新日 | 2021-07-21 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Aziridine Formation by a Fe II / alpha-Ketoglutarate Dependent Oxygenase and 2-Aminoisobutyrate Biosynthesis in Fungi.
Angew.Chem.Int.Ed.Engl., 60, 2021
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3BP2
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2CV3
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6ZHO
 | | Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor | | 分子名称: | Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, TETRAETHYLENE GLYCOL, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | 著者 | Southall, S.M. | | 登録日 | 2020-06-23 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Structure-Based Drug Discovery ofN-((R)-3-(7-Methyl-1H-indazol-5-yl)-1-oxo-1-(((S)-1-oxo-3-(piperidin-4-yl)-1-(4-(pyridin-4-yl)piperazin-1-yl)propan-2-yl)amino)propan-2-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide (HTL22562): A Calcitonin Gene-Related Peptide Receptor Antagonist for Acute Treatment of Migraine.
J.Med.Chem., 63, 2020
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6NCO
 | | Fragment-based Discovery of an apoE4 Stabilizer | | 分子名称: | 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide, Apolipoprotein E | | 著者 | Jakob, C.G, Qiu, W. | | 登録日 | 2018-12-11 | | 公開日 | 2019-04-17 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.707 Å) | | 主引用文献 | Fragment-Based Discovery of an Apolipoprotein E4 (apoE4) Stabilizer.
J.Med.Chem., 62, 2019
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4N4Z
 | | Trypanosoma brucei procathepsin B structure solved by Serial Microcrystallography using synchrotron radiation | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | 著者 | Gati, C, Bourenkov, G, Klinge, M, Rehders, D, Stellato, F, Oberthuer, D, White, T.A, Yevanov, O, Sommer, B.P, Mogk, S, Duszenko, M, Betzel, C, Schneider, T.R, Chapman, H.N, Redecke, L. | | 登録日 | 2013-10-08 | | 公開日 | 2014-02-05 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Serial crystallography on in vivo grown microcrystals using synchrotron radiation.
IUCrJ, 1, 2014
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6NX1
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL | | 分子名称: | 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion | | 著者 | Khan, J.A. | | 登録日 | 2019-02-07 | | 公開日 | 2020-02-12 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 10, 2019
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6OPF
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5G3S
 | | The structure of the L-tryptophan oxidase VioA from Chromobacterium violaceum - Samarium derivative | | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ... | | 著者 | Krausze, J, Rabe, J, Moser, J. | | 登録日 | 2016-05-01 | | 公開日 | 2016-08-03 | | 最終更新日 | 2019-03-06 | | 実験手法 | X-RAY DIFFRACTION (2.076 Å) | | 主引用文献 | Biosynthesis of Violacein: Structure and Function of L-Tryptophan Oxidase Vioa Chromobacterium Violaceum
J.Biol.Chem., 291, 2016
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6Y7M
 | | Crystal structure of the complex resulting from the reaction between the SARS-CoV main protease and tert-butyl (1-((S)-3-cyclohexyl-1-(((S)-4-(cyclopropylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate | | 分子名称: | 3C-like proteinase, DIMETHYL SULFOXIDE, ~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate | | 著者 | Zhang, L, Lin, D, Hilgenfeld, R. | | 登録日 | 2020-03-01 | | 公開日 | 2020-03-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved alpha-ketoamide inhibitors.
Science, 368, 2020
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4QJI
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