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PDB: 34840 件
5KU3
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BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone)
分子名称: 1,2-ETHANEDIOL, 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone, Bromodomain-containing protein 4, ...
著者Murray, J.M, Huang, W.
登録日2016-07-12
公開日2016-11-02
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Discovery of a Potent and Selective in Vivo Probe (GNE-272) for the Bromodomains of CBP/EP300.
J. Med. Chem., 59, 2016
5KNQ
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Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with [3S,4R]-(4-(Guanin-9-yl)pyrrolidin-3-yl)oxymethanephosphonic acid and pyrophosphate
分子名称: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
著者Eng, W.S, Rejman, D, Keough, D.T, Guddat, L.W.
登録日2016-06-28
公開日2017-09-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.553 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis hypoxanthine guanine phosphoribosyltransferase in complex with pyrrolidine nucleoside phosphonate
To Be Published
5KZN
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Metabotropic Glutamate Receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, Metabotropic glutamate receptor 2
著者Chappell, M.D, Li, R, Smith, S.C, Dressman, B.A, Tromiczak, E.G, Tripp, A.E, Blanco, M.-J, Vetman, T, Quimby, S.J, Matt, J, Britton, T, Fivush, A.M, Schkeryantz, J.M, Mayhugh, D, Erickson, J.A, Bures, M, Jaramillo, C, Carpintero, M, de Diego, J.E, Barberis, M, Garcia-Cerrada, S, Soriano, J.F, Antonysamy, S, Atwell, S, MacEwan, I, Condon, B, Bradley, C, Wang, J, Zhang, A, Conners, K, Groshong, C, Wasserman, S.R, Koss, J.W, Witkin, J.M, Li, X, Overshiner, C, Wafford, K.A, Seidel, W, Wang, X.-S, Heinz, B.A, Swanson, S, Catlow, J, Bedwell, D, Monn, J.A, Mitch, C.H, Ornstein, P.
登録日2016-07-25
公開日2016-12-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of (1S,2R,3S,4S,5R,6R)-2-Amino-3-[(3,4-difluorophenyl)sulfanylmethyl]-4-hydroxy-bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid Hydrochloride (LY3020371HCl): A Potent, Metabotropic Glutamate 2/3 Receptor Antagonist with Antidepressant-Like Activity.
J. Med. Chem., 59, 2016
7VVE
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Complex structure of a leaf-branch compost cutinase variant in complex with mono(2-hydroxyethyl) terephthalic acid
分子名称: 2-(2-METHOXYETHOXY)ETHANOL, 4-(2-hydroxyethyloxycarbonyl)benzoic acid, CALCIUM ION, ...
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-05
公開日2022-03-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
7VVC
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Crystal structure of inactive mutant of leaf-branch compost cutinase variant
分子名称: ACETATE ION, ACETIC ACID, CALCIUM ION, ...
著者Niu, D, Zeng, W, Huang, J.W, Chen, C.C, Liu, W.D, Guo, R.T.
登録日2021-11-05
公開日2022-03-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Substrate-Binding Mode of a Thermophilic PET Hydrolase and Engineering the Enzyme to Enhance the Hydrolytic Efficacy.
Acs Catalysis, 12, 2022
3PRK
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INHIBITION OF PROTEINASE K BY METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYL KETONE. AN X-RAY STUDY AT 2.2-ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYL KETONE, PROTEINASE K
著者Wolf, W.M, Bajorath, J, Mueller, A, Raghunathan, S, Singh, T.P, Hinrichs, W, Saenger, W.
登録日1991-08-07
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Inhibition of proteinase K by methoxysuccinyl-Ala-Ala-Pro-Ala-chloromethyl ketone. An x-ray study at 2.2-A resolution.
J.Biol.Chem., 266, 1991
5HBU
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Structure of the E. coli nucleoid occlusion protein SlmA bound to DNA and the C-terminal tail of the cytoskeletal cell division protein FtsZ
分子名称: DNA (5'-D(*GP*TP*GP*AP*GP*TP*AP*CP*TP*CP*AP*C)-3'), FtsZ CTT peptide, Nucleoid occlusion factor SlmA
著者Schumacher, M.A, Zeng, W.
登録日2016-01-02
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of the nucleoid occlusion protein SlmA bound to DNA and the C-terminal domain of the cytoskeletal protein FtsZ.
Proc.Natl.Acad.Sci.USA, 113, 2016
5L2I
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BU of 5l2i by Molmil
The X-ray co-crystal structure of human CDK6 and Palbociclib.
分子名称: 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Cyclin-dependent kinase 6
著者Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A.
登録日2016-08-01
公開日2016-08-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
4YJ5
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BU of 4yj5 by Molmil
Crystal structure of PKM2 mutant
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, MAGNESIUM ION, PYRUVIC ACID, ...
著者Liu, J.-S, Wu, C.-W, Wang, W.-C.
登録日2015-03-03
公開日2016-03-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Mutations in the PKM2 exon-10 region are associated with reduced allostery and increased nuclear translocation
Commun Biol, 2, 2019
6DHG
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RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.5 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
登録日2018-05-20
公開日2018-11-21
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
6DHO
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BU of 6dho by Molmil
RT XFEL structure of the two-flash state of Photosystem II (2F, S3-rich) at 2.07 Angstrom resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Kern, J, Chatterjee, R, Young, I.D, Fuller, F.D, Lassalle, L, Ibrahim, M, Gul, S, Fransson, T, Brewster, A.S, Alonso-Mori, R, Hussein, R, Zhang, M, Douthit, L, de Lichtenberg, C, Cheah, M.H, Shevela, D, Wersig, J, Seufert, I, Sokaras, D, Pastor, E, Weninger, C, Kroll, T, Sierra, R.G, Aller, P, Butryn, A, Orville, A.M, Liang, M, Batyuk, A, Koglin, J.E, Carbajo, S, Boutet, S, Moriarty, N.W, Holton, J.M, Dobbek, H, Adams, P.D, Bergmann, U, Sauter, N.K, Zouni, A, Messinger, J, Yano, J, Yachandra, V.K.
登録日2018-05-20
公開日2018-11-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structures of the intermediates of Kok's photosynthetic water oxidation clock.
Nature, 563, 2018
3AUV
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BU of 3auv by Molmil
Predicting Amino Acid Preferences in the Complementarity Determining Regions of an Antibody-Antigen Recognition Interface
分子名称: sc-dsFv derived from the G6-Fab
著者Yu, C.M, Peng, H.P, Chen, I.C, Lee, Y.C, Chen, J.B, Tsai, K.C, Chen, C.T, Chang, J.Y, Yang, E.W, Hsu, P.C, Jian, J.W, Hsu, H.J, Chang, H.J, Hsu, W.L, Huang, K.F, Ma, A.C, Yang, A.S.
登録日2011-02-16
公開日2012-02-22
最終更新日2012-04-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Rationalization and design of the complementarity determining region sequences in an antibody-antigen recognition interface
Plos One, 7, 2012
1Y82
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Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus
分子名称: UNKNOWN ATOM OR ION, hypothetical protein
著者Horanyi, P, Tempel, W, Habel, J, Chen, L, Lee, D, Nguyen, D, Chang, S.-H, Florence, Q, Zhou, W, Lin, D, Zhang, H, Praissman, J, Jenney Jr, F.E, Adams, M.W.W, Liu, Z.-J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2004-12-10
公開日2005-01-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Conserved hypothetical protein Pfu-367848-001 from Pyrococcus furiosus
To be published
1T6O
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Nucleocapsid-binding domain of the measles virus P protein (amino acids 457-507) in complex with amino acids 486-505 of the measles virus N protein
分子名称: linker, phosphoprotein
著者Kingston, R.L, Hamel, D.J, Gay, L.S, Dahlquist, F.W, Matthews, B.W.
登録日2004-05-06
公開日2004-08-03
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for the attachment of a paramyxoviral polymerase to its template.
Proc.Natl.Acad.Sci.USA, 101, 2004
2GGK
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The mutant A302C of Agrobacterium radiobacter N-carbamoyl-D-amino-acid amidohydrolase
分子名称: N-carbamoyl-D-amino acid amidohydrolase
著者Wang, W.C, Chiu, W.C, You, J.Y.
登録日2006-03-24
公開日2006-04-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Stability-Activity Relationship in Covalently Cross-linked N-Carbamoyl d-Amino acid Amidohydrolase and N-Acylamino acid Racemase.
J.Mol.Biol., 359, 2006
2CLA
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BU of 2cla by Molmil
CRYSTAL STRUCTURE OF THE ASP-199-ASN MUTANT OF CHLORAMPHENICOL ACETYLTRANSFERASE TO 2.35 ANGSTROMS RESOLUTION. STRUCTURAL CONSEQUENCES OF DISRUPTION OF A BURIED SALT-BRIDGE
分子名称: CHLORAMPHENICOL ACETYLTRANSFERASE, COBALT (II) ION
著者Gibbs, M.R, Moody, P.C.E, Leslie, A.G.W.
登録日1990-04-05
公開日1990-07-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of the aspartic acid-199----asparagine mutant of chloramphenicol acetyltransferase to 2.35-A resolution: structural consequences of disruption of a buried salt bridge.
Biochemistry, 29, 1990
1SSY
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BU of 1ssy by Molmil
Crystal structure of phage T4 lysozyme mutant G28A/I29A/G30A/C54T/C97A
分子名称: Lysozyme
著者He, M.M, Baase, W.A, Xiao, H, Heinz, D.W, Matthews, B.W.
登録日2004-03-24
公開日2004-10-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Alanine-scanning mutagenesis of the beta-sheet region of phage T4 lysozyme suggests that tertiary context has a dominant effect on beta-sheet formation
Protein Sci., 13, 2004
2FK3
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BU of 2fk3 by Molmil
Structure of the Alzheimer's Amyloid Precursor Protein (APP) Copper Binding Domain in 'large unit cell' form
分子名称: Amyloid beta A4 protein precursor, COPPER (II) ION
著者Kong, G.K.-W, Parker, M.W.
登録日2006-01-04
公開日2007-01-16
最終更新日2022-02-23
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Studies of the Alzheimer's Amyloid Precursor Protein Copper-binding Domain Reveal How it Binds Copper Ions
J.Mol.Biol., 367, 2007
2GGI
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The mutant E149C-A182C of Deinococcus Radiodurans N-acylamino acid racemase
分子名称: N-acylamino acid racemase
著者Wang, W.C, Chiu, W.C.
登録日2006-03-24
公開日2006-04-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Stability-Activity Relationship in Covalently Cross-linked N-Carbamoyl d-Amino acid Amidohydrolase and N-Acylamino acid Racemase.
J.Mol.Biol., 359, 2006
1LNC
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A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ...
著者Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W.
登録日1994-05-13
公開日1995-05-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural analysis of zinc substitutions in the active site of thermolysin.
Protein Sci., 4, 1995
1LNA
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A STRUCTURAL ANALYSIS OF METAL SUBSTITUTIONS IN THERMOLYSIN
分子名称: CALCIUM ION, COBALT (II) ION, DIMETHYL SULFOXIDE, ...
著者Holland, D.R, Hausrath, A.C, Juers, D, Matthews, B.W.
登録日1994-05-13
公開日1995-05-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural analysis of zinc substitutions in the active site of thermolysin.
Protein Sci., 4, 1995
2GGH
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The mutant A68C-D72C-NLQ of Deinococcus Radiodurans Nacylamino acid racemase
分子名称: MAGNESIUM ION, N-acylamino acid racemase, N~2~-ACETYL-L-GLUTAMINE
著者Wang, W.C, Chiu, W.C.
登録日2006-03-24
公開日2006-04-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Stability-Activity Relationship in Covalently Cross-linked N-Carbamoyl d-Amino acid Amidohydrolase and N-Acylamino acid Racemase.
J.Mol.Biol., 359, 2006
3H42
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Crystal structure of PCSK9 in complex with Fab from LDLR competitive antibody
分子名称: Fab from LDLR competitive antibody: Heavy chain, Fab from LDLR competitive antibody: Light chain, Proprotein convertase subtilisin/kexin type 9, ...
著者Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T, Tsai, M.M, Yang, E.
登録日2009-04-17
公開日2009-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献From the Cover: A proprotein convertase subtilisin/kexin type 9 neutralizing antibody reduces serum cholesterol in mice and nonhuman primates.
Proc.Natl.Acad.Sci.USA, 106, 2009
1SSW
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Crystal structure of phage T4 lysozyme mutant Y24A/Y25A/T26A/I27A/C54T/C97A
分子名称: BETA-MERCAPTOETHANOL, Lysozyme
著者He, M.M, Baase, W.A, Xiao, H, Heinz, D.W, Matthews, B.W.
登録日2004-03-24
公開日2004-10-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Alanine-scanning mutagenesis of the beta-sheet region of phage T4 lysozyme suggests that tertiary context has a dominant effect on beta-sheet formation
Protein Sci., 13, 2004
2GCH
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REFINED CRYSTAL STRUCTURE OF GAMMA-CHYMOTRYPSIN AT 1.9 ANGSTROMS RESOLUTION
分子名称: GAMMA-CHYMOTRYPSIN A
著者Cohen, G.H, Davies, D.R, Silverton, E.W.
登録日1980-05-21
公開日1980-07-09
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Refined crystal structure of gamma-chymotrypsin at 1.9 A resolution. Comparison with other pancreatic serine proteases.
J.Mol.Biol., 148, 1981

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