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3R22
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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
3R21
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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
3L1N
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BU of 3l1n by Molmil
Crystal structure of Mp1p ligand binding domain 2 complexd with palmitic acid
分子名称: Cell wall antigen, PALMITIC ACID
著者Liao, S, Tung, E.T, Zheng, W, Chong, K, Xu, Y, Bartlam, M, Rao, Z, Yuen, K.Y.
登録日2009-12-14
公開日2010-01-05
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal structure of the Mp1p ligand binding domain 2 reveals its function as a fatty acid-binding protein.
J.Biol.Chem., 285, 2010
2Q5C
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BU of 2q5c by Molmil
Crystal structure of NtrC family transcriptional regulator from Clostridium acetobutylicum
分子名称: GLYCEROL, NtrC family transcriptional regulator, SULFATE ION
著者Ramagopal, U.A, Dickey, M, Toro, R, Iizuka, M, Groshong, K, Rodgers, L, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-05-31
公開日2007-07-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Crystal structure of NtrC family transcriptional regulator from Clostridium acetobutylicum.
To be Published
3QDD
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BU of 3qdd by Molmil
HSP90A N-terminal domain in complex with BIIB021
分子名称: 6-chloro-9-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-9H-purin-2-amine, Heat shock protein HSP 90-alpha
著者Arndt, J.W, Biamonte, M.A.
登録日2011-01-18
公開日2012-07-18
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献EC144 Is a Potent Inhibitor of the Heat Shock Protein 90.
J.Med.Chem., 55, 2012
7D13
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BU of 7d13 by Molmil
NERP-2 in a HFIP solution
分子名称: Neurosecretory protein VGF
著者Park, O, Cheong, C, Jeon, Y.
登録日2020-09-13
公開日2020-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of neuroendocrine regulatory peptide-2 in membrane-mimicking environments.
Peptide Science, 2020
7D16
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NERP-2 in a DPC solution
分子名称: Neurosecretory protein VGF
著者Park, O, Cheong, C, Jeon, Y.
登録日2020-09-13
公開日2020-11-11
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of neuroendocrine regulatory peptide-2 in membrane-mimicking environments.
Peptide Science, 2020
5CD3
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BU of 5cd3 by Molmil
Structure of immature VRC01-class antibody DRVIA7
分子名称: DRVIA7 Heavy Chain, DRVIA7 Light Chain
著者Kong, L, Wilson, I.A.
登録日2015-07-02
公開日2016-04-06
最終更新日2018-09-05
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
5CD5
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BU of 5cd5 by Molmil
Crystal structure of an immature VRC01-class antibody DRVIA7 from a Chinese donor bound to clade A/E HIV-1 gp120 core
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, 93TH057 HIV-1 gp120 core, ...
著者Kong, L, Wilson, I.A.
登録日2015-07-03
公開日2016-04-06
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.396 Å)
主引用文献Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
6UUM
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BU of 6uum by Molmil
Crystal structure of antibody 438-B11 DSS mutant (Cys98A-Cys100aA)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, B11 DSS Fab Heavy Chain, ...
著者Kumar, S, Wilson, I.A.
登録日2019-10-30
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A V H 1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite.
Sci Adv, 6, 2020
6UUL
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BU of 6uul by Molmil
Crystal structure of broad and potent HIV-1 neutralizing antibody 438-D5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, D5 Fab Heavy Chain, ...
著者Kumar, S, Wilson, I.A.
登録日2019-10-30
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献A V H 1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite.
Sci Adv, 6, 2020
6UTK
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BU of 6utk by Molmil
Crystal structure of 438-B11 Fab in complex with an uncleaved prefusion optimized (UFO) soluble BG505 trimer and Fab 35O22 at 3.80 Angstrom
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kumar, S, Wilson, I.A.
登録日2019-10-29
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.8 Å)
主引用文献A VH1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite
Sci Adv, 6, 2020
6UUH
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BU of 6uuh by Molmil
Crystal structure of broad and potent HIV-1 neutralizing antibody 438-B11
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, B11 Fab Heavy Chain, B11 Fab Light Chain, ...
著者Kumar, S, Wilson, I.A.
登録日2019-10-30
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A V H 1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite.
Sci Adv, 6, 2020
6V6W
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BU of 6v6w by Molmil
Crystal structure of antibody 438-B11 DSS mutant (Cys98A-100aA) in complex with an uncleaved prefusion optimized (UFO) soluble BG505 trimer and Fab 35O22
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, 35O22 Fab Heavy chain, ...
著者Kumar, S, Wilson, I.A.
登録日2019-12-06
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (6.5 Å)
主引用文献A VH1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite
Sci Adv, 6, 2020
3U50
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BU of 3u50 by Molmil
Crystal Structure of the Tetrahymena telomerase processivity factor Teb1 OB-C
分子名称: Telomerase-associated protein 82, ZINC ION
著者Zeng, Z, Huang, J, Yang, Y, Lei, M.
登録日2011-10-10
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for Tetrahymena telomerase processivity factor Teb1 binding to single-stranded telomeric-repeat DNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U58
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BU of 3u58 by Molmil
Crystal Structure of the Tetrahymena telomerase processivity factor Teb1 AB
分子名称: DNA (5'-D(*GP*GP*GP*T)-3'), Tetrahymena Teb1 AB
著者Zeng, Z, Huang, J, Yang, Y, Lei, M.
登録日2011-10-11
公開日2011-12-28
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.613 Å)
主引用文献Structural basis for Tetrahymena telomerase processivity factor Teb1 binding to single-stranded telomeric-repeat DNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U4V
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Crystal Structure of the Tetrahymena telomerase processivity factor Teb1 OB-A
分子名称: Telomerase-associated protein 82
著者Zeng, Z, Huang, J, Yang, Y, Lei, M.
登録日2011-10-10
公開日2011-12-28
最終更新日2012-05-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for Tetrahymena telomerase processivity factor Teb1 binding to single-stranded telomeric-repeat DNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
3U4Z
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BU of 3u4z by Molmil
Crystal Structure of the Tetrahymena telomerase processivity factor Teb1 OB-B
分子名称: Telomerase-associated protein 82
著者Zeng, Z, Huang, J, Yang, Y, Lei, M.
登録日2011-10-10
公開日2011-12-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for Tetrahymena telomerase processivity factor Teb1 binding to single-stranded telomeric-repeat DNA.
Proc.Natl.Acad.Sci.USA, 108, 2011
4KJU
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BU of 4kju by Molmil
Crystal structure of XIAP-Bir2 with a bound benzodiazepinone inhibitor.
分子名称: E3 ubiquitin-protein ligase XIAP, N-{(3S)-5-(4-aminobenzoyl)-1-[(2-methoxynaphthalen-1-yl)methyl]-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-3-yl}-N~2~-methyl-L-alaninamide, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-05-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
4KJV
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Crystal structure of XIAP-Bir2 with a bound spirocyclic benzoxazepinone inhibitor.
分子名称: 6-methoxy-5-({(3S)-3-[(N-methyl-L-alanyl)amino]-4-oxo-2',3,3',4,5',6'-hexahydro-5H-spiro[1,5-benzoxazepine-2,4'-pyran]-5-yl}methyl)naphthalene-2-carboxylic acid, E3 ubiquitin-protein ligase XIAP, ZINC ION
著者Lukacs, C.M, Janson, C.A.
登録日2013-05-03
公開日2013-11-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Optimization of Benzodiazepinones as Selective Inhibitors of the X-Linked Inhibitor of Apoptosis Protein (XIAP) Second Baculovirus IAP Repeat (BIR2) Domain.
J.Med.Chem., 56, 2013
5B2A
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BU of 5b2a by Molmil
Crystal structure of a mutant of OspA
分子名称: Outer surface protein A
著者Hori , Y, Makabe, K.
登録日2016-01-13
公開日2017-01-18
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Beta-sheet elasticity of peptide self-assembly mimic, PSAM, with a grafted sequence characterized by comprehensive analyses of isomorphous crystals
J Mol Liq, 290, 2019
5YJO
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Crystal structure of SmyD3 in complex with covalent inhibitor 4
分子名称: Histone-lysine N-methyltransferase SMYD3, S-ADENOSYLMETHIONINE, ZINC ION, ...
著者Baburajendran, N, Anna E, J.
登録日2017-10-11
公開日2018-10-17
最終更新日2019-07-10
実験手法X-RAY DIFFRACTION (2.135 Å)
主引用文献Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.
Acs Med.Chem.Lett., 10, 2019
7DXL
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Fragment-based Lead Discovery of Indazole-based Compounds as AXL Kinase Inhibitors
分子名称: 3-[4-[6-chloranyl-5-[[(3R)-pyrrolidin-3-yl]amino]-1H-indazol-3-yl]pyrazol-1-yl]benzenecarbonitrile, Tyrosine-protein kinase Mer
著者Anantharajan, J, Baburajendran, N.
登録日2021-01-19
公開日2021-10-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.146 Å)
主引用文献Fragment-based lead discovery of indazole-based compounds as AXL kinase inhibitors.
Bioorg.Med.Chem., 49, 2021
6J6C
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Borrelia burgdorferi OspA via surface entropy reduction (form3)
分子名称: Outer surface protein A
著者Fujiwara, H, Makabe, K.
登録日2019-01-14
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Beta-sheet elasticity of peptide self-assembly mimic, PSAM, with a grafted sequence characterized by comprehensive analyses of isomorphous crystals
J Mol Liq, 290, 2019
6J5N
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OspA mutant, PSAM-VLGDV1-form4, grafted short chameleon sequence from alpha-B crystallin
分子名称: Outer surface protein A
著者Fujiwara, H, Makabe, K.
登録日2019-01-11
公開日2019-11-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Beta-sheet elasticity of peptide self-assembly mimic, PSAM, with a grafted sequence characterized by comprehensive analyses of isomorphous crystals
J Mol Liq, 290, 2019

 

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