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7WS7
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BU of 7ws7 by Molmil
Structures of Omicron Spike complexes illuminate broad-spectrum neutralizing antibody development
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 510A5 heavy chain, 510A5 light chain, ...
著者Guo, H, Gao, Y, Ji, X, Yang, H.
登録日2022-01-28
公開日2022-06-01
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structures of Omicron spike complexes and implications for neutralizing antibody development.
Cell Rep, 39, 2022
6IKK
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BU of 6ikk by Molmil
Crystal structure of YfiB(L43P) in complex with YfiR
分子名称: SULFATE ION, YfiB, YfiR
著者Li, S, Zhang, Q, Bartlam, M.
登録日2018-10-16
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Structural analysis of activating mutants of YfiB from Pseudomonas aeruginosa PAO1.
Biochem. Biophys. Res. Commun., 506, 2018
6IKI
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BU of 6iki by Molmil
Crystal structure of YfiB(W55L)
分子名称: GLYCEROL, SULFATE ION, YfiB
著者Li, S, Zhang, Q, Bartlam, M.
登録日2018-10-16
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.204 Å)
主引用文献Structural analysis of activating mutants of YfiB from Pseudomonas aeruginosa PAO1.
Biochem. Biophys. Res. Commun., 506, 2018
1MOB
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BU of 1mob by Molmil
HIGH-RESOLUTION CRYSTAL STRUCTURES OF DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN
分子名称: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Quillin, M.L, Phillips Jr, G.N.
登録日1994-12-01
公開日1995-02-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993
1YCA
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BU of 1yca by Molmil
DISTAL POCKET POLARITY IN LIGAND BINDING TO MYOGLOBIN: DEOXY AND CARBONMONOXY FORMS OF A THREONINE68 (E11) MUTANT INVESTIGATED BY X-RAY CRYSTALLOGRAPHY AND INFRARED SPECTROSCOPY
分子名称: CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
著者Cameron, A.D, Smerdon, S.J, Wilkinson, A.J, Habash, J, Helliwell, J.R.
登録日1993-08-10
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Distal pocket polarity in ligand binding to myoglobin: deoxy and carbonmonoxy forms of a threonine68(E11) mutant investigated by X-ray crystallography and infrared spectroscopy.
Biochemistry, 32, 1993
1YCB
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BU of 1ycb by Molmil
DISTAL POCKET POLARITY IN LIGAND BINDING TO MYOGLOBIN: DEOXY AND CARBONMONOXY FORMS OF A THREONINE68 (E11) MUTANT INVESTIGATED BY X-RAY CRYSTALLOGRAPHY AND INFRARED SPECTROSCOPY
分子名称: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE
著者Cameron, A.D, Smerdon, S.J, Wilkinson, A.J, Habash, J, Helliwell, J.R.
登録日1993-08-10
公開日1994-01-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Distal pocket polarity in ligand binding to myoglobin: deoxy and carbonmonoxy forms of a threonine68(E11) mutant investigated by X-ray crystallography and infrared spectroscopy.
Biochemistry, 32, 1993
4DHF
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BU of 4dhf by Molmil
Structure of Aurora A mutant bound to Biogenidec cpd 15
分子名称: 7-cyclopentyl-2-({1-methyl-5-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-3-yl}amino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide, Aurora kinase A, MAGNESIUM ION, ...
著者Silvian, L, Marcotte, D.J.
登録日2012-01-27
公開日2012-07-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design of 2,6,7-trisubstituted-7H-pyrrolo[2,3-d]pyrimidines as Aurora kinases inhibitors.
Bioorg.Med.Chem.Lett., 22, 2012
1TES
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BU of 1tes by Molmil
OXYGEN BINDING MUSCLE PROTEIN
分子名称: METHYLETHYLAMINE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Smith, R.D, Phillips Jr, G.N, Olson, J.S.
登録日1996-05-06
公開日1996-11-08
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanism of NO-induced oxidation of myoglobin and hemoglobin.
Biochemistry, 35, 1996
6N4Q
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BU of 6n4q by Molmil
CryoEM structure of Nav1.7 VSD2 (actived state) in complex with the gating modifier toxin ProTx2
分子名称: Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ...
著者Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M.
登録日2018-11-20
公開日2019-01-23
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
6K73
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BU of 6k73 by Molmil
Chaperone-tip adhesin complex is vital for synergistic activation of CFA/I fimbriae biogenesis
分子名称: CFA/I fimbrial subunit E, Colonization factor antigen I chaperone CfaA, GLYCEROL, ...
著者Bao, R, He, L.H.
登録日2019-06-05
公開日2020-06-10
最終更新日2020-10-14
実験手法X-RAY DIFFRACTION (2.7742 Å)
主引用文献Chaperone-tip adhesin complex is vital for synergistic activation of CFA/I fimbriae biogenesis.
Plos Pathog., 16, 2020
6N4R
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BU of 6n4r by Molmil
CryoEM structure of Nav1.7 VSD2 (deactived state) in complex with the gating modifier toxin ProTx2
分子名称: Beta/omega-theraphotoxin-Tp2a, Fab heavy chain, Fab light chain, ...
著者Xu, H, Rohou, A, Arthur, C.P, Estevez, A, Ciferri, C, Payandeh, J, Koth, C.M.
登録日2018-11-20
公開日2019-01-23
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
6N4I
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BU of 6n4i by Molmil
Structural basis of Nav1.7 inhibition by a gating-modifier spider toxin
分子名称: Beta/omega-theraphotoxin-Tp2a, Nav1.7 VSD2-NavAb channel chimera protein, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
著者Xu, H, Koth, C.M, Payandeh, J.
登録日2018-11-19
公開日2019-01-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.541 Å)
主引用文献Structural Basis of Nav1.7 Inhibition by a Gating-Modifier Spider Toxin.
Cell, 176, 2019
6JDD
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BU of 6jdd by Molmil
Crystal structure of the cypemycin decarboxylase CypD.
分子名称: Cypemycin cysteine dehydrogenase (decarboxylating), DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE
著者Zhang, Q, Yuan, H.
登録日2019-02-01
公開日2019-03-06
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Convergent evolution of the Cys decarboxylases involved in aminovinyl-cysteine (AviCys) biosynthesis.
FEBS Lett., 593, 2019
3I6L
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BU of 3i6l by Molmil
Newly identified epitope N1 derived from SARS-CoV N protein complexed with HLA-A*2402
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-24 alpha chain, ...
著者Liu, J.W.
登録日2009-07-07
公開日2010-07-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Novel immunodominant peptide presentation strategy: a featured HLA-A*2402-restricted cytotoxic T-lymphocyte epitope stabilized by intrachain hydrogen bonds from severe acute respiratory syndrome coronavirus nucleocapsid protein
J.Virol., 84, 2010
3I6G
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BU of 3i6g by Molmil
Newly identified epitope Mn2 from SARS-CoV M protein complexed withHLA-A*0201
分子名称: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
著者Liu, J.
登録日2009-07-07
公開日2010-06-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.201 Å)
主引用文献The membrane protein of severe acute respiratory syndrome coronavirus acts as a dominant immunogen revealed by a clustering region of novel functionally and structurally defined cytotoxic T-lymphocyte epitopes.
J.INFECT.DIS., 202, 2010
1VRH
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BU of 1vrh by Molmil
HRV14/SDZ 880-061 COMPLEX
分子名称: 2-[4-(2H-1,4-BENZOTHIAZINE-3-YL)-PIPERAZINE-1-LY]-1,3-THIAZOLE-4-CARBOXYLIC ACID ETHYLESTER, RHINOVIRUS 14
著者Oren, D.A, Zhang, A, Arnold, E.
登録日1996-02-26
公開日1997-02-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Synthesis and activity of piperazine-containing antirhinoviral agents and crystal structure of SDZ 880-061 bound to human rhinovirus 14.
J.Mol.Biol., 259, 1996
3R21
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BU of 3r21 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
分子名称: MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
著者Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
登録日2011-03-11
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
3S4Q
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BU of 3s4q by Molmil
P38 alpha kinase complexed with a pyrazolo-triazine based inhibitor
分子名称: 3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-cyclopropyl-4-methylbenzamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2011-05-20
公開日2012-02-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3MVM
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BU of 3mvm by Molmil
P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7V
分子名称: 4-{[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2010-05-04
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38? Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
3MVL
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BU of 3mvl by Molmil
P38 Alpha Map Kinase complexed with pyrrolotriazine inhibitor 7K
分子名称: 4-{[5-(cyclopropylcarbamoyl)-2-methylphenyl]amino}-5-methyl-N-propylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2010-05-04
公開日2010-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 4-(5-(Cyclopropylcarbamoyl)-2-Methylphenylamino)-5-Methyl-Npropylpyrrolo[1,2-F][1,2,4] Triazine-6-Carboxamide (Bms-582949), a Clinical P38 Map Kinase Inhibitor for the Treatment of Inflammatory Diseases
J.Med.Chem., 53, 2010
3OCG
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BU of 3ocg by Molmil
P38 Alpha kinase complexed with a 5-amino-pyrazole based inhibitor
分子名称: 5-amino-N-[5-(isoxazol-3-ylcarbamoyl)-2-methylphenyl]-1-phenyl-1H-pyrazole-4-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2010-08-10
公開日2010-11-17
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献5-Amino-pyrazoles as potent and selective p38α inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3R22
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BU of 3r22 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
分子名称: N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
著者Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
登録日2011-03-11
公開日2011-08-10
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
3U1R
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BU of 3u1r by Molmil
Structure Analysis of A New Psychrophilic Marine Protease
分子名称: Alkaline metalloprotease, CALCIUM ION, ZINC ION
著者Zhang, S.-C, Sun, M, Tang, L, Wang, Q.-H, Hao, J.-H, Han, Y, Hu, X.-J, Zhou, M, Lin, S.-X.
登録日2011-09-30
公開日2012-10-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure analysis of a new psychrophilic marine protease.
Plos One, 6, 2011
8H08
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BU of 8h08 by Molmil
SARS-CoV-2 BA.1 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8H07
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BU of 8h07 by Molmil
SARS-CoV-2 BA.4 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
分子名称: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Wang, X, Wang, Z.
登録日2022-09-28
公開日2023-05-31
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023

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