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7SIU
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BU of 7siu by Molmil
Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745
分子名称: 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION
著者Longenecker, K.L, Korepanova, A, Qiu, W.
登録日2021-10-14
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.786 Å)
主引用文献The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy.
Acs Chem.Biol., 17, 2022
6VKV
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Co-crystal structure of GS-6207 bound to HIV-1 capsid hexamer
分子名称: CHLORIDE ION, Capsid protein p24, IODIDE ION, ...
著者Bester, S.M, Kvaratskhelia, M.
登録日2020-01-22
公開日2020-10-21
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural and mechanistic bases for a potent HIV-1 capsid inhibitor.
Science, 370, 2020
8XKF
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BU of 8xkf by Molmil
Crystal structure of Helicobacter pylori IspDF with substrate CTP
分子名称: 1,2-ETHANEDIOL, Bifunctional enzyme IspD/IspF, CHLORIDE ION, ...
著者Chen, X, Wu, D.
登録日2023-12-23
公開日2024-04-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two natural compounds as potential inhibitors against the Helicobacter pylori and Acinetobacter baumannii IspD enzymes.
Int J Antimicrob Agents, 63, 2024
5XS5
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BU of 5xs5 by Molmil
Structure of Coxsackievirus A6 (CVA6) virus procapsid particle
分子名称: Genome polyprotein
著者Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Cheng, T, Li, S.W.
登録日2017-06-12
公開日2017-09-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
5XS7
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BU of 5xs7 by Molmil
Structure of Coxsackievirus A6 (CVA6) virus A-particle in complex with the neutralizing antibody fragment 1D5
分子名称: Genome polyprotein, Heavy chain of Fab 1D5, Light chain of Fab 1D5
著者Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T.
登録日2017-06-12
公開日2017-09-27
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
5XS4
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Structure of Coxsackievirus A6 (CVA6) virus A-particle
分子名称: Genome polyprotein
著者Zheng, Q.B, He, M.Z, Xu, L.F, Yu, H, Li, S.W, Cheng, T.
登録日2017-06-12
公開日2017-09-27
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Atomic structures of Coxsackievirus A6 and its complex with a neutralizing antibody
Nat Commun, 8, 2017
4YH3
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BU of 4yh3 by Molmil
Crystal structure of human BRD4(1) in complex with 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19a)
分子名称: 4-[(2E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4
著者White, A, Lakshminarasimhan, D, Suto, R.K.
登録日2015-02-26
公開日2016-01-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
4YH4
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Crystal structure of human BRD4(1) in complex with 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one (compound 19d)
分子名称: 4-[(5-phenylpyridin-3-yl)carbonyl]-3,4-dihydroquinoxalin-2(1H)-one, Bromodomain-containing protein 4, GLYCEROL, ...
著者Lakshminarasimhan, D, White, A, Suto, R.K.
登録日2015-02-26
公開日2016-01-13
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery of a new chemical series of BRD4(1) inhibitors using protein-ligand docking and structure-guided design.
Bioorg.Med.Chem.Lett., 25, 2015
3HWP
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BU of 3hwp by Molmil
Crystal structure and computational analyses provide insights into the catalytic mechanism of 2, 4-diacetylphloroglucinol hydrolase PhlG from Pseudomonas fluorescens
分子名称: CHLORIDE ION, NICKEL (II) ION, PhlG, ...
著者He, Y.-X, Huang, L, Xue, Y, Fei, X, Teng, Y.-B, Zhou, C.-Z.
登録日2009-06-18
公開日2009-12-15
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure and Computational Analyses Provide Insights into the Catalytic Mechanism of 2,4-Diacetylphloroglucinol Hydrolase PhlG from Pseudomonas fluorescens.
J.Biol.Chem., 285, 2010
4AME
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BU of 4ame by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 T18A
分子名称: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
著者Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
登録日1999-01-24
公開日1999-04-29
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
3M6I
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BU of 3m6i by Molmil
L-arabinitol 4-dehydrogenase
分子名称: L-arabinitol 4-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
著者Bae, B, Nair, S.K.
登録日2010-03-15
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure and engineering of L-arabinitol 4-dehydrogenase from Neurospora crassa
J.Mol.Biol., 402, 2010
5IVX
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BU of 5ivx by Molmil
Crystal Structure of B4.2.3 T-Cell Receptor and H2-Dd P18-I10 Complex
分子名称: 1,2-ETHANEDIOL, Beta-2-microglobulin, H-2 class I histocompatibility antigen, ...
著者Natarajan, K, Jiang, J, Margulies, D.
登録日2016-03-21
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献An allosteric site in the T-cell receptor C beta domain plays a critical signalling role.
Nat Commun, 8, 2017
5IW1
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BU of 5iw1 by Molmil
Crystal Structure of B4.2.3 T-Cell Receptor
分子名称: T-CELL RECEPTOR ALPHA CHAIN, T-CELL RECEPTOR BETA CHAIN
著者Natarajan, K, Jiang, J, Margulies, D.
登録日2016-03-21
公開日2017-03-29
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.001 Å)
主引用文献An allosteric site in the T-cell receptor C beta domain plays a critical signalling role.
Nat Commun, 8, 2017
3OHI
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BU of 3ohi by Molmil
Structure of Giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone
分子名称: ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid, Putative fructose-1,6-bisphosphate aldolase, ZINC ION
著者Herzberg, O, Galkin, A.
登録日2010-08-17
公開日2011-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase.
J.Inorg.Biochem., 105, 2010
7JI3
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BU of 7ji3 by Molmil
Cryo-EM structure of a proton-activated chloride channel
分子名称: Proton-activated chloride channel
著者Deng, Z, Zhang, J, Yuan, P.
登録日2020-07-22
公開日2021-03-03
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.46 Å)
主引用文献Cryo-EM structure of a proton-activated chloride channel TMEM206.
Sci Adv, 7, 2021
3EWH
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BU of 3ewh by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridyl-pyrimidine benzimidazole inhibitor
分子名称: 1,2-ETHANEDIOL, N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine, vascular endothelial growth factor receptor 2
著者Whittington, D.A, Long, A.M, Rose, P, Gu, Y, Zhao, H.
登録日2008-10-15
公開日2009-08-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009
1MSJ
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BU of 1msj by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 T15V
分子名称: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
著者Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
登録日1999-01-24
公開日1999-04-29
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
7K9K
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BU of 7k9k by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab 2H04 (local refinement)
分子名称: 2H04 heavy chain, 2H04 light chain, Spike protein S1, ...
著者Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-09-29
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
7K9H
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BU of 7k9h by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab 2B04 (one up, two down conformation)
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, 2B04 heavy chain, ...
著者Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-09-29
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
7K9I
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SARS-CoV-2 Spike RBD in complex with neutralizing Fab 2B04 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2B04 heavy chain, 2B04 light chain, ...
著者Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-09-29
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
7K9J
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SARS-CoV-2 Spike in complex with neutralizing Fab 2H04 (three down conformation)
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, 2H04 heavy chain, ...
著者Errico, J.M, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-09-29
公開日2021-09-29
最終更新日2021-11-10
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural mechanism of SARS-CoV-2 neutralization by two murine antibodies targeting the RBD.
Cell Rep, 37, 2021
6AME
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BU of 6ame by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 M21A
分子名称: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
著者Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
登録日1999-01-24
公開日1999-04-29
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
1B7J
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BU of 1b7j by Molmil
TYPE III ANTIFREEZE PROTEIN ISOFORM HPLC 12 V20A
分子名称: PROTEIN (ANTIFREEZE PROTEIN TYPE III)
著者Graether, S.P, Deluca, C.I, Baardsnes, J, Hill, G.A, Davies, P.L, Jia, Z.
登録日1999-01-24
公開日1999-04-30
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Quantitative and qualitative analysis of type III antifreeze protein structure and function.
J.Biol.Chem., 274, 1999
7JUO
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CBP bromodomain complexed with YF2-23
分子名称: CREB-binding protein, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide
著者Ratia, K.M, Xiong, R, Principe, D, Li, Y, Huang, F, Rana, A, Thatcher, G.
登録日2020-08-20
公開日2021-09-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献XP-524 is a dual-BET/EP300 inhibitor that represses oncogenic KRAS and potentiates immune checkpoint inhibition in pancreatic cancer.
Proc.Natl.Acad.Sci.USA, 119, 2022
8GU0
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Crystal structure of a fungal halogenase RadH
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, Non-heme halogenase radH, ...
著者Jiang, S.M, Brown, C.J.
登録日2022-09-09
公開日2023-07-26
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Further Characterization of Fungal Halogenase RadH and Its Homologs.
Biomolecules, 13, 2023

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