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5L1U
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BU of 5l1u by Molmil
X-ray Structure of M81A mutant of Cytochrome P450 PntM with pentalenolactone F
分子名称: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
著者Duan, L, Jogl, G, Cane, D.E.
登録日2016-07-29
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.074 Å)
主引用文献The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
7ET0
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BU of 7et0 by Molmil
Crystal structure of the complex formed by Wolbachia cytoplasmic incompatibility factors CinA and CinB from wPip
分子名称: Bacteria factor A, Bacteria factor B
著者Xiao, Y.J, Wang, W, Chen, X, Ji, X.Y, Yang, H.T.
登録日2021-05-12
公開日2021-11-10
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and mechanistic insights into the complexes formed by Wolbachia cytoplasmic incompatibility factors.
Proc.Natl.Acad.Sci.USA, 118, 2021
2IOU
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BU of 2iou by Molmil
Major Tropism Determinant P1 (Mtd-P1) Variant Complexed with Bordetella brochiseptica Virulence Factor Pertactin extracellular domain (Prn-E).
分子名称: MAGNESIUM ION, Major Tropism Determinant P1, Pertactin Extracellular Domain
著者Miller, J.L, Ghosh, P.
登録日2006-10-10
公開日2007-10-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.16 Å)
主引用文献Selective Ligand Recognition by a Diversity-Generating Retroelement Variable Protein
Plos Biol., 6, 2008
7ATW
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BU of 7atw by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 3)
分子名称: 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid, GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-01
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7EVT
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BU of 7evt by Molmil
Crystal structure of the N-terminal degron-truncated human glutamine synthetase
分子名称: Glutamine synthetase
著者Chek, M.F, Kim, S.Y, Mori, T, Hakoshima, T.
登録日2021-05-22
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal structure of N-terminal degron-truncated human glutamine synthetase.
Acta Crystallogr.,Sect.F, 77, 2021
7EOK
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BU of 7eok by Molmil
Crystal structure of the Pepper aptamer in complex with HBC485
分子名称: 4-[(~{Z})-1-cyano-2-[5-[2-(dimethylamino)ethyl-methyl-amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7AUB
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BU of 7aub by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 15)
分子名称: 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, Peptidoglycan D,D-transpeptidase FtsI
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.907 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
5L3S
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BU of 5l3s by Molmil
Structure of the GTPase heterodimer of crenarchaeal SRP54 and FtsY
分子名称: GLYCEROL, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ...
著者Bange, G, Wild, K, Sinning, I.
登録日2016-05-24
公開日2016-06-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex.
J.Mol.Biol., 428, 2016
7QY2
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BU of 7qy2 by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 2
分子名称: (2R)-4-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyrimidin-2-yl]piperazin-1-ium-1-yl]-2-methyl-butanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Dahms, S.O, Brandstetter, H, Pautsch, A.
登録日2022-01-27
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
7FID
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BU of 7fid by Molmil
Processive cleavage of substrate at individual proteolytic active sites of the Lon proteasecomplex (conformation 1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Li, S, Hsieh, K, Kuo, C, Su, S, Huang, K, Zhang, K, Chang, C.I.
登録日2021-07-31
公開日2021-11-24
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex.
Sci Adv, 7, 2021
7AUH
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BU of 7auh by Molmil
Structure of P. aeruginosa PBP3 in complex with vaborbactam
分子名称: GLYCEROL, Peptidoglycan D,D-transpeptidase FtsI, Vaborbactam
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-03
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.012 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7EOO
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BU of 7eoo by Molmil
Crystal structure of the Pepper aptamer in complex with HBC525
分子名称: (~{E})-2-(1,3-benzoxazol-2-yl)-3-[4-[2-hydroxyethyl(methyl)amino]phenyl]prop-2-enenitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7Q62
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BU of 7q62 by Molmil
Structure of TEV cleaved A2ML1 dimer (A2ML1-TT dimer)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-2-macroglobulin-like protein 1
著者Nielsen, N.S, Zarantonello, A, Andersen, G.R.
登録日2021-11-05
公開日2022-04-20
最終更新日2022-11-02
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
7AU1
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BU of 7au1 by Molmil
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 12)
分子名称: 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
著者Newman, H, Bellini, B, Dowson, C.G.
登録日2020-11-02
公開日2021-08-11
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献High-Throughput Crystallography Reveals Boron-Containing Inhibitors of a Penicillin-Binding Protein with Di- and Tricovalent Binding Modes.
J.Med.Chem., 64, 2021
7FBP
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BU of 7fbp by Molmil
FXIIa-cMCoFx1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIIa light chain, cMCoFx1
著者Sengoku, T, Liu, W, de Veer, S.J, Huang, Y.H, Okada, C, Zdenek, C.N, Fry, B.G, Swedberg, J.E, Passioura, T, Craik, D.J, Suga, H, Ogata, K.
登録日2021-07-12
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献An Ultrapotent and Selective Cyclic Peptide Inhibitor of Human beta-Factor XIIa in a Cyclotide Scaffold.
J.Am.Chem.Soc., 143, 2021
7SZC
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BU of 7szc by Molmil
Crystal Structure Analysis of human PRPK complex with a compound
分子名称: 4-hydroxy-2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1H-isoindole-1,3(2H)-dione, D(-)-TARTARIC ACID, EKC/KEOPS complex subunit TP53RK, ...
著者Seo, H.-S, Dhe-Paganon, S.
登録日2021-11-27
公開日2022-12-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Development of PRPK Directed Phthalimides
Biorxiv, 2021
7FIZ
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BU of 7fiz by Molmil
Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex (conformation 3)
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Li, S, Hsieh, K, Kuo, C, Su, S, Huang, K, Zhang, K, Chang, C.I.
登録日2021-08-01
公開日2021-11-24
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Processive cleavage of substrate at individual proteolytic active sites of the Lon protease complex.
Sci Adv, 7, 2021
7EOP
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BU of 7eop by Molmil
Crystal structure of the Pepper aptamer in complex with HBC620
分子名称: 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]thieno[3,2-b]thiophen-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
2LY9
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BU of 2ly9 by Molmil
Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F
分子名称: Zinc fingers and homeoboxes protein 1
著者Xu, X, Eletsky, A, Mills, J.L, Pulavarti, S.V.S.R.K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2012-09-14
公開日2012-11-14
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of Homeobox 2 Domain from Human ZHX1 repressor, Northeast Structural Genomics Consortium (NESG) Target HR7907F
To be Published
2XPA
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BU of 2xpa by Molmil
DISCOVERY OF CELL-ACTIVE PHENYL-IMIDAZOLE PIN1 INHIBITORS BY STRUCTURE-GUIDED FRAGMENT EVOLUTION
分子名称: 4-[(2-amino-2-oxoethyl)(methyl)carbamoyl]-2-phenyl-1H-imidazole-5-carboxylic acid, DODECAETHYLENE GLYCOL, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1
著者Potter, A, Oldfield, V, Nunns, C, Fromont, C, Ray, S, Northfield, C.J, Bryant, C.J, Scrace, S.F, Robinson, D, Matossova, N, Baker, L, Dokurno, P, Surgenor, A.E, Davis, B.E, Richardson, C.M, Murray, J.B, Moore, J.D.
登録日2010-08-25
公開日2011-01-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of Cell-Active Phenyl-Imidazole Pin1 Inhibitors by Structure-Guided Fragment Evolution.
Bioorg.Med.Chem.Lett., 20, 2010
7QY0
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BU of 7qy0 by Molmil
X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Dahms, S.O, Brandstetter, H, Pautsch, A.
登録日2022-01-27
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022
7EOL
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BU of 7eol by Molmil
Crystal structure of the Pepper aptamer in complex with HBC497
分子名称: 4-[(~{Z})-1-cyano-2-[5-[2-hydroxyethyl(methyl)amino]pyrazin-2-yl]ethenyl]benzenecarbonitrile, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Huang, K.Y, Ren, A.M.
登録日2021-04-22
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.309 Å)
主引用文献Structure-based investigation of fluorogenic Pepper aptamer.
Nat.Chem.Biol., 17, 2021
7KNQ
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BU of 7knq by Molmil
SARM1 Octamer
分子名称: NAD(+) hydrolase SARM1
著者Shen, C, Wu, H.
登録日2020-11-05
公開日2021-11-17
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Multiple domain interfaces mediate SARM1 autoinhibition.
Proc.Natl.Acad.Sci.USA, 118, 2021
7QQM
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The PDZ domain of LRRC7 fused with ANXA2
分子名称: CALCIUM ION, GLYCEROL, Leucine-rich repeat-containing protein 7,Annexin A2
著者Cousido-Siah, A, Trave, G, Gogl, G.
登録日2022-01-10
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A scalable strategy to solve structures of PDZ domains and their complexes.
Acta Crystallogr D Struct Biol, 78, 2022
7QY1
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X-ray structure of furin in complex with the dichlorophenylpyridine-based inhibitor 4
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[4-[5-[4-[[4-(acetamidomethyl)piperidin-1-ium-1-yl]methyl]-6-[3,5-bis(chloranyl)phenyl]pyridin-2-yl]oxypyridin-2-yl]piperazin-1-ium-1-yl]propanoate, CALCIUM ION, ...
著者Dahms, S.O, Brandstetter, H, Pautsch, A.
登録日2022-01-27
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Dichlorophenylpyridine-Based Molecules Inhibit Furin through an Induced-Fit Mechanism.
Acs Chem.Biol., 17, 2022

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