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PDB: 40736 件

1VCA
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CRYSTAL STRUCTURE OF AN INTEGRIN-BINDING FRAGMENT OF VASCULAR CELL ADHESION MOLECULE-1 AT 1.8 ANGSTROMS RESOLUTION
分子名称: HUMAN VASCULAR CELL ADHESION MOLECULE-1
著者Jones, E.Y, Harlos, K, Bottomley, M.J, Robinson, R.C, Driscoll, P.C, Edwards, R.M, Clements, J.M, Dudgeon, T.J, Stuart, D.I.
登録日1995-03-21
公開日1995-09-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of an integrin-binding fragment of vascular cell adhesion molecule-1 at 1.8 A resolution.
Nature, 373, 1995
1UMZ
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Xyloglucan endotransglycosylase in complex with the xyloglucan nonasaccharide XLLG.
分子名称: XYLOGLUCAN ENDOTRANSGLYCOSYLASE, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Johansson, P, Brumer, H, Kallas, A.M, Henriksson, H, Denman, S.E, Teeri, T.T, Jones, T.A.
登録日2003-09-03
公開日2004-03-18
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structures of a Poplar Xyloglucan Endotransglycosylase Reveal Details of Transglycosylation Acceptor Binding
Plant Cell, 16, 2004
4ZVS
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Caspase-7 Variant 1 (V1) with reprogrammed substrate specificity due to Y230A/W232M/S234N substitutions, bound to DEVD inhibitor.
分子名称: Caspase-7, DEVD inhibitor
著者MacPherson, D.J, Hill, M.E, Hardy, J.A.
登録日2015-05-18
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
4ZVO
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Caspase-7 Variant 4 (V4) with reprogrammed substrate specificity due to Y230V/W232Y/S234V/Q276D substitutions bound to VEID inhibitor.
分子名称: Caspase-7, Peptide ACE-VAL-GLU-ILE-ASJ
著者Hill, M.E, MacPherson, D.J, Hardy, J.A.
登録日2015-05-18
公開日2016-04-20
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Reprogramming Caspase-7 Specificity by Regio-Specific Mutations and Selection Provides Alternate Solutions for Substrate Recognition.
Acs Chem.Biol., 11, 2016
1V0V
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Phospholipase D from Streptomyces sp. strain PMF soaked with the substrate dibutyrylphosphatidylcholine.
分子名称: PHOSPHITE ION, PHOSPHOLIPASE D
著者Leiros, I, McSweeney, S, Hough, E.
登録日2004-04-02
公開日2004-06-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The Reaction Mechanism of Phospholipase D from Streptomyces Sp. Strain Pmf. Snapshots Along the Reaction Pathway Reveal a Pentacoordinate Reaction Intermediate and an Unexpected Final Product
J.Mol.Biol., 339, 2004
5A92
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15K X-ray structure with Cefotaxime: Exploring the Mechanism of beta- Lactam Ring Protonation in the Class A beta-lactamase Acylation Mechanism Using Neutron and X-ray Crystallography
分子名称: BETA-LACTAMASE CTX-M-97, CEFOTAXIME, C3' cleaved, ...
著者Vandavasi, V.G, Weiss, K.L, Cooper, J.B, Erskine, P.T, Tomanicek, S.J, Ostermann, A, Schrader, T.E, Ginell, S.L, Coates, L.
登録日2015-07-17
公開日2015-12-16
最終更新日2018-10-03
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Exploring the Mechanism of Beta-Lactam Ring Protonation in the Class a Beta-Lactamase Acylation Mechanism Using Neutron and X-Ray Crystallography.
J.Med.Chem., 59, 2016
5A3Y
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SAD structure of Thermolysin obtained by multi crystal data collection
分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ...
著者Zander, U, Bourenkov, G, Popov, A.N, de Sanctis, D, McCarthy, A.A, Svensson, O, Round, E.S, Gordeliy, V.I, Mueller-Dieckmann, C, Leonard, G.A.
登録日2015-06-04
公開日2015-11-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Meshandcollect: An Automated Multi-Crystal Data-Collection Workflow for Synchrotron Macromolecular Crystallography Beamlines.
Acta Crystallogr.,Sect.D, 71, 2015
1BA8
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THROMBIN INHIBITOR WITH A RIGID TRIPEPTIDYL ALDEHYDES
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HIRUGEN, THROMBIN, ...
著者Krishnan, R, Zhang, E, Hakansson, K, Arni, R.K, Tulinsky, A, Lim-Wilby, M.S.L, Levy, O.E, Semple, J.E, Brunck, T.K.
登録日1998-04-23
公開日1999-04-27
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Highly selective mechanism-based thrombin inhibitors: structures of thrombin and trypsin inhibited with rigid peptidyl aldehydes.
Biochemistry, 37, 1998
1AS6
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STRUCTURE OF NITRITE BOUND TO OXIDIZED ALCALIGENES FAECALIS NITRITE REDUCTASE AT CRYO TEMPERATURE
分子名称: COPPER (II) ION, NITRITE ION, NITRITE REDUCTASE
著者Murphy, M.E.P, Adman, E.T, Turley, S.
登録日1997-08-13
公開日1998-02-25
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of nitrite bound to copper-containing nitrite reductase from Alcaligenes faecalis. Mechanistic implications.
J.Biol.Chem., 272, 1997
6DCO
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BU of 6dco by Molmil
Bcl-xL complex with Beclin 1 BH3 domain T108D
分子名称: Bcl-2-like protein 1,Bcl-2-like protein 1, Beclin-1, CHLORIDE ION
著者Lee, E.F, Smith, B.J, Smith, N.A, Yao, S, Fairlie, W.D.
登録日2018-05-07
公開日2018-05-30
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Structural insights into BCL2 pro-survival protein interactions with the key autophagy regulator BECN1 following phosphorylation by STK4/MST1.
Autophagy, 15, 2019
6DM0
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BU of 6dm0 by Molmil
Open state GluA2 in complex with STZ and blocked by IEM-1460, after micelle signal subtraction
分子名称: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, ...
著者Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I.
登録日2018-06-04
公開日2018-08-22
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.4 Å)
主引用文献Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018
6DNZ
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Trypanosoma brucei PRMT1 enzyme-prozyme heterotetrameric complex with AdoHcy
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arginine N-methyltransferase, putative, ...
著者Hashimoto, H, Kafkova, L, Jordan, K, Read, L.K, Debler, E.W.
登録日2018-06-08
公開日2019-06-12
最終更新日2020-02-12
実験手法X-RAY DIFFRACTION (2.384 Å)
主引用文献Structural Basis of Protein Arginine Methyltransferase Activation by a Catalytically Dead Homolog (Prozyme).
J.Mol.Biol., 432, 2020
6DDS
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BU of 6dds by Molmil
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid
分子名称: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid, ACETATE ION, Dihydrofolate reductase, ...
著者Hajian, B, Wright, D, Scocchera, E.
登録日2018-05-10
公開日2018-05-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
6DKH
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BU of 6dkh by Molmil
The crystal structure of L-idonate 5-dehydrogenase from Escherichia coli str. K-12 substr. MG1655
分子名称: L-idonate 5-dehydrogenase (NAD(P)(+)), ZINC ION
著者Tan, K, Evdokimova, E, McChesney, C, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2018-05-29
公開日2018-06-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.608 Å)
主引用文献The crystal structure of L-idonate 5-dehydrogenase from Escherichia coli str. K-12 substr. MG1655
To Be Published
6D8E
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BU of 6d8e by Molmil
Discovery of a Highly Potent and Broadly Effective EGFR and HER2 Exon 20 Insertion Mutant Inhibitor
分子名称: (4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate, Epidermal growth factor receptor
著者Park, E, Eck, M.J.
登録日2018-04-26
公開日2018-07-18
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.537 Å)
主引用文献Discovery of a Highly Potent and Broadly Effective Epidermal Growth Factor Receptor and HER2 Exon 20 Insertion Mutant Inhibitor.
Angew. Chem. Int. Ed. Engl., 57, 2018
6DDW
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BU of 6ddw by Molmil
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid
分子名称: Dihydrofolate reductase, GLYCEROL, N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid, ...
著者Hajian, B, Scocchera, E, Wright, D.
登録日2018-05-10
公開日2018-05-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
Cell Chem Biol, 26, 2019
8B1S
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co-crystal of SUDV VP40 with salicylic acid
分子名称: 2-HYDROXYBENZOIC ACID, Matrix protein VP40
著者Werner, A.-D, Krapoth, N, Norris, M.J, Heine, A, Klebe, G, Ollmann Saphire, E, Becker, S.
登録日2022-09-12
公開日2023-09-27
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Development of a Crystallographic Screening to Identify Sudan Virus VP40 Ligands
Acs Omega, 2024
8B2U
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Crystal structure of SUDV VP40 in complex with salicylic acid
分子名称: 2-HYDROXYBENZOIC ACID, Matrix protein VP40
著者Werner, A.-D, Krapoth, N, Norris, M.J, Heine, A, Klebe, G, Ollmann Saphire, E, Becker, S.
登録日2022-09-14
公開日2023-09-27
最終更新日2024-07-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of a Crystallographic Screening to Identify Sudan Virus VP40 Ligands
Acs Omega, 2024
6DV6
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Structure of the Salmonella SPI-1 type III secretion injectisome secretin InvG (residues 176-end) in the open gate state
分子名称: Protein InvG
著者Hu, J, Worrall, L.J, Vuckovic, M, Atkinson, C.E, Strynadka, N.C.J.
登録日2018-06-22
公開日2018-10-03
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-EM analysis of the T3S injectisome reveals the structure of the needle and open secretin.
Nat Commun, 9, 2018
6DM1
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Open state GluA2 in complex with STZ and blocked by NASPM, after micelle signal subtraction
分子名称: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit, ...
著者Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I.
登録日2018-06-04
公開日2018-08-22
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018
6DD5
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Crystal Structure of the Cas6 Domain of Marinomonas mediterranea MMB-1 Cas6-RT-Cas1 Fusion Protein
分子名称: GLYCEROL, MMB-1 Cas6 Fused to Maltose Binding Protein,CRISPR-associated endonuclease Cas1, SULFATE ION, ...
著者Stamos, J.L, Mohr, G, Silas, S, Makarova, K.S, Markham, L.M, Yao, J, Lucas-Elio, P, Sanchez-Amat, A, Fire, A.Z, Koonin, E.V, Lambowitz, A.M.
登録日2018-05-09
公開日2018-10-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献A Reverse Transcriptase-Cas1 Fusion Protein Contains a Cas6 Domain Required for Both CRISPR RNA Biogenesis and RNA Spacer Acquisition.
Mol. Cell, 72, 2018
6DU2
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Structure of Scp1 D96N bound to REST-pS861/4 peptide
分子名称: MAGNESIUM ION, REST-pS861/4, carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform X2
著者Burkholder, N.T, Mayfield, J.E, Yu, X, Irani, S, Arce, D.K, Jiang, F, Matthews, W, Xue, Y, Zhang, Y.J.
登録日2018-06-19
公開日2018-09-26
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Phosphatase activity of small C-terminal domain phosphatase 1 (SCP1) controls the stability of the key neuronal regulator RE1-silencing transcription factor (REST).
J. Biol. Chem., 293, 2018
6DUC
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Crystal structure of mutant beta-K167T tryptophan synthase in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, cesium ion at the metal coordination site, and 2-aminophenol quinonoid (1D0) at the beta-site
分子名称: (2E)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)imino]-3-[(2-hydroxyphenyl)amino]propanoic acid, 1,2-ETHANEDIOL, 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, ...
著者Hilario, E, Dunn, M.F, Mueller, L.J, Fan, L.
登録日2018-06-20
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.791 Å)
主引用文献Tryptophan synthase Q114A mutant in complex with inhibitor N-(4'-trifluoromethoxybenzenesulfonyl)-2-amino-1-ethylphosphate (F9F) at the alpha-site, aminoacrylate (P1T) at the beta site, and cesium ion at the metal coordination site.
To be Published
6DLE
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BU of 6dle by Molmil
Crystal structure of IgLON5 homodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IgLON family member 5
著者Ranaivoson, F.M, Turk, L.S, Ozkan, E, Montelione, G.T, Comoletti, D.
登録日2018-06-01
公開日2019-04-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.994 Å)
主引用文献Structure of a heterodimer of neuronal cell surface proteins
Structure, 2019
6DLZ
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Open state GluA2 in complex with STZ after micelle signal subtraction
分子名称: CYCLOTHIAZIDE, GLUTAMIC ACID, Glutamate receptor 2,Voltage-dependent calcium channel gamma-2 subunit
著者Twomey, E.C, Yelshanskaya, M.V, Vassilevski, A.A, Sobolevsky, A.I.
登録日2018-06-04
公開日2018-08-22
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Mechanisms of Channel Block in Calcium-Permeable AMPA Receptors.
Neuron, 99, 2018

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