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3WFI
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The crystal structure of D-mandelate dehydrogenase
分子名称: 2-dehydropantoate 2-reductase
著者Miyanaga, A, Fujisawa, S, Furukawa, N, Arai, K, Nakajima, M, Taguchi, H.
登録日2013-07-19
公開日2014-07-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.997 Å)
主引用文献The crystal structure of D-mandelate dehydrogenase reveals its distinct substrate and coenzyme recognition mechanisms from those of 2-ketopantoate reductase.
Biochem.Biophys.Res.Commun., 439, 2013
7UV9
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BU of 7uv9 by Molmil
KDM2A-nucleosome structure stabilized by H3K36C-UNC8015 covalent conjugate
分子名称: DNA (185-MER), FE (III) ION, Histone H2A type 1, ...
著者Spangler, C.J, Skrajna, A, Foley, C.A, Budziszewski, G.R, Azzam, D.N, James, L.I, Frye, S.V, McGinty, R.K.
登録日2022-04-29
公開日2023-02-22
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural basis of paralog-specific KDM2A/B nucleosome recognition.
Nat.Chem.Biol., 19, 2023
1N0H
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Crystal Structure of Yeast Acetohydroxyacid Synthase in Complex with a Sulfonylurea Herbicide, Chlorimuron Ethyl
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER, 4-{[(4'-AMINO-2'-METHYLPYRIMIDIN-5'-YL)METHYL]AMINO}PENT-3-ENYL DIPHOSPHATE, ...
著者Pang, S.S, Guddat, L.W, Duggleby, R.G.
登録日2002-10-14
公開日2003-01-07
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Molecular basis of sulfonylurea herbicide inhibition of acetohydroxyacid synthase
J.BIOL.CHEM., 278, 2003
7DDP
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Cryo-EM structure of human ACE2 and GX/P2V/2017 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
著者Niu, S, Wang, J, Wang, H.W, Qi, J.X, Wang, Q.H, Gao, G.F.
登録日2020-10-29
公開日2021-05-19
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular basis of cross-species ACE2 interactions with SARS-CoV-2-like viruses of pangolin origin.
Embo J., 40, 2021
7DDO
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Cryo-EM structure of human ACE2 and GD/1/2019 RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
著者Niu, S, Wang, J, Wang, H.W, Qi, J.X, Wang, Q.H, Gao, G.F.
登録日2020-10-29
公開日2021-05-19
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Molecular basis of cross-species ACE2 interactions with SARS-CoV-2-like viruses of pangolin origin.
Embo J., 40, 2021
1NZJ
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Crystal Structure and Activity Studies of Escherichia Coli Yadb ORF
分子名称: Hypothetical protein yadB, ZINC ION
著者Campanacci, V, Kern, D.Y, Becker, H.D, Spinelli, S, Valencia, C, Vincentelli, R, Pagot, F, Bignon, C, Giege, R, Cambillau, C.
登録日2003-02-18
公開日2004-04-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The Escherichia coli YadB gene product reveals a novel aminoacyl-tRNA synthetase like activity.
J.Mol.Biol., 337, 2004
5B7B
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Crystal structure of Nucleoprotein-nucleozin complex
分子名称: Nucleoprotein, [4-(2-chloro-4-nitrophenyl)piperazin-1-yl](5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
著者Pang, B, Zhang, W.Z, Zhang, H.M, Hao, Q.
登録日2016-06-06
公開日2016-07-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Characterization of H1N1 Nucleoprotein-Nucleozin Binding Sites
Sci Rep, 6, 2016
1NNY
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Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 23 Using a Linked-Fragment Strategy
分子名称: 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-1-NAPHTHYL}-L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R.
登録日2003-01-14
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1N8V
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Chemosensory Protein in complex with bromo-dodecanol
分子名称: BROMO-DODECANOL, chemosensory protein
著者Campanacci, V, Lartigue, A, Hallberg, B.M, Jones, T.A, Giudici-Orticoni, M.T, Tegoni, M, Cambillau, C.
登録日2002-11-21
公開日2003-04-01
最終更新日2017-02-01
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Moth chemosensory protein exhibits drastic conformational changes and cooperativity on ligand binding.
Proc.Natl.Acad.Sci.USA, 100, 2003
1OZG
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The crystal structure of Klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate
分子名称: 2-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATE, Acetolactate synthase, catabolic, ...
著者Pang, S.S, Duggleby, R.G, Schowen, R.L, Guddat, L.W.
登録日2003-04-09
公開日2003-11-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Crystal Structures of Klebsiella pneumoniae Acetolactate Synthase with Enzyme-bound Cofactor and with an Unusual Intermediate.
J.Biol.Chem., 279, 2004
5G48
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H.pylori Beta clamp in complex with Diflunisal
分子名称: 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, DNA POLYMERASE III SUBUNIT BETA
著者Pandey, P, Gourinath, S.
登録日2016-05-06
公開日2017-06-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Targeting the beta-clamp in Helicobacter pylori with FDA-approved drugs reveals micromolar inhibition by diflunisal.
FEBS Lett., 591, 2017
1NPH
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Gelsolin Domains 4-6 in Active, Actin Free Conformation Identifies Sites of Regulatory Calcium Ions
分子名称: CALCIUM ION, Gelsolin
著者Kolappan, S, Gooch, J.T, Weeds, A.G, McLaughlin, P.J.
登録日2003-01-17
公開日2003-05-13
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Gelsolin Domains 4-6 in Active, Actin-Free Conformation Identifies Sites of Regulatory Calcium Ions
J.Mol.Biol., 329, 2003
1NO6
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Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 5 Using a Linked-Fragment Strategy
分子名称: 2-[(CARBOXYCARBONYL)(1-NAPHTHYL)AMINO]BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R.
登録日2003-01-15
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1N8U
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Chemosensory Protein in Complex with bromo-dodecanol
分子名称: BROMO-DODECANOL, chemosensory protein
著者Campanacci, V, Lartigue, A, Hallberg, B.M, Jones, T.A, Giudici-Orticoni, M.T, Tegoni, M, Cambillau, C.
登録日2002-11-21
公開日2003-04-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Moth chemosensory protein exhibits drastic conformational changes and cooperativity on ligand binding.
Proc.Natl.Acad.Sci.USA, 100, 2003
1NL9
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Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Compound 12 Using a Linked-Fragment Strategy
分子名称: 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL-ETHYL)-NAPHTHALEN-1-YL]-OXALYL-AMINO}-BENZOIC ACID, Protein-tyrosine phosphatase, non-receptor type 1
著者Szczepankiewicz, B.G, Liu, G, Hajduk, P.J, Abad-Zapatero, C, Pei, Z, Xin, Z, Lubben, T, Trevillyan, J.M, Stashko, M.A, Ballaron, S.J, Liang, H, Huang, F, Hutchins, C.W, Fesik, S.W, Jirousek, M.R.
登録日2003-01-06
公開日2003-04-08
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery of a Potent, Selective Protein Tyrosine Phosphatase 1B Inhibitor Using a Linked-Fragment Strategy
J.Am.Chem.Soc., 125, 2003
1Q8D
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The crystal structure of GDNF family co-receptor alpha 1 domain 3
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, GDNF family receptor alpha 1
著者Leppanen, V.M, Bespalov, M.M, Runeberg-Roos, P, Puurand, U, Merits, A, Saarma, M, Goldman, A.
登録日2003-08-21
公開日2004-08-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of GFRalpha1 domain 3 reveals new insights into GDNF binding and RET activation.
Embo J., 23, 2004
1OZF
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The crystal structure of Klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactors
分子名称: Acetolactate synthase, catabolic, DI(HYDROXYETHYL)ETHER, ...
著者Pang, S.S, Duggleby, R.G, Schowen, R.L, Guddat, L.W.
登録日2003-04-09
公開日2003-11-11
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Crystal Structures of Klebsiella pneumoniae Acetolactate Synthase with Enzyme-bound Cofactor and with an Unusual Intermediate.
J.Biol.Chem., 279, 2004
1OZH
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The crystal structure of Klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate.
分子名称: 2-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATE, Acetolactate synthase, catabolic, ...
著者Pang, S.S, Duggleby, R.G, Schowen, R.L, Guddat, L.W.
登録日2003-04-09
公開日2003-11-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The Crystal Structures of Klebsiella pneumoniae Acetolactate Synthase with Enzyme-bound Cofactor and with an Unusual Intermediate.
J.Biol.Chem., 279, 2004
5SRX
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5198562503 - (R) isomer
分子名称: 3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SSI
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCn500000bifGU
分子名称: (3R)-1-[3-(1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoyl]pyrrolidine-3-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SS3
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCnu000001eLaQ
分子名称: N-{5-[(3-cyanophenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}propanamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SQN
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z4914649780 - (S) isomer
分子名称: 3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]propanoic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SS5
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCpE000000mAwk - (S) isomer
分子名称: (3S)-3-(4-bromophenyl)-3-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]propanoic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
1QWD
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CRYSTAL STRUCTURE OF A BACTERIAL LIPOCALIN, THE BLC GENE PRODUCT FROM E. COLI
分子名称: Outer membrane lipoprotein blc
著者Campanacci, V, Nurizzo, D, Spinelli, S, Valencia, C, Cambillau, C.
登録日2003-09-02
公開日2004-04-06
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The crystal structure of the Escherichia coli lipocalin Blc suggests a possible role in phospholipid binding
Febs Lett., 562, 2004
4GGG
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Crystal structure of V66A/L68V CzrA in the Zn(II)bound state.
分子名称: CHLORIDE ION, Repressor protein, ZINC ION
著者Campanello, G.C, Ma, Z, Grossoehme, N.E, Chakrovorty, D.K, Guerra, A.J, Ye, Y, Dann III, C.E, Merz Jr, K.M, Giedroc, D.P.
登録日2012-08-06
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.998 Å)
主引用文献Allosteric inhibition of a zinc-sensing transcriptional repressor: insights into the arsenic repressor (ArsR) family.
J.Mol.Biol., 425, 2013

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