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7X7S
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BU of 7x7s by Molmil
Solution structure of human adenylate kinase 1 (hAK1)
Descriptor: Adenylate kinase isoenzyme 1
Authors:Zhang, H.
Deposit date:2022-03-10
Release date:2022-05-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:ADP-Induced Conformational Transition of Human Adenylate Kinase 1 Is Triggered by Suppressing Internal Motion of alpha 3 alpha 4 and alpha 7 alpha 8 Fragments on the ps-ns Timescale.
Biomolecules, 12, 2022
2JNH
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BU of 2jnh by Molmil
Solution Structure of the UBA Domain from Cbl-b
Descriptor: E3 ubiquitin-protein ligase CBL-B
Authors:Zhou, C, Zhou, Z, Lin, D, Hu, H.
Deposit date:2007-01-24
Release date:2008-02-05
Last modified:2023-12-20
Method:SOLUTION NMR
Cite:Differential ubiquitin binding of the UBA domains from human c-Cbl and Cbl-b: NMR structural and biochemical insights
Protein Sci., 17, 2008
2KW0
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BU of 2kw0 by Molmil
Solution structure of N-terminal domain of CcmH from Escherichia.coli
Descriptor: CcmH protein
Authors:Hong, J, Zheng, X, Hu, H, Lin, D.
Deposit date:2010-03-30
Release date:2011-07-13
Last modified:2020-02-26
Method:SOLUTION NMR
Cite:Biochemical properties and catalytic domain structure of the CcmH protein from Escherichia coli.
Biochim.Biophys.Acta, 1824, 2012
2L7W
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BU of 2l7w by Molmil
Solution structure of the human Raf-1 kinase inhibitor protein
Descriptor: Phosphatidylethanolamine-binding protein 1
Authors:Yi, C.Y.
Deposit date:2010-12-24
Release date:2012-01-25
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of the human Raf-1 kinase inhibitor protein
To be Published
6FV1
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BU of 6fv1 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)-2-cinnamamido-4-methylpentanamide (cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (2~{S})-4-methyl-~{N}-[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, 3C-like proteinase, DIMETHYL SULFOXIDE, ...
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2018-02-28
Release date:2019-03-20
Last modified:2021-04-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
6FV2
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BU of 6fv2 by Molmil
Structure of human coronavirus NL63 main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (cinnamoyl-phenylalanine-GlnLactam-CO-CO-NH-benzyl)
Descriptor: (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide, 3C-like proteinase, GLYCEROL
Authors:Zhang, L, Hilgenfeld, R.
Deposit date:2018-02-28
Release date:2019-03-20
Last modified:2021-04-28
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Alpha-ketoamides as broad-spectrum inhibitors of coronavirus and enterovirus replication Structure-based design, synthesis, and activity assessment.
J.Med.Chem., 2020
7V3S
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BU of 7v3s by Molmil
Crystal structure of CMET in complex with a novel inhibitor
Descriptor: Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(10~{H}-pyrido[3,2-b][1,4]benzoxazin-4-yloxy)phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Authors:Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C.
Deposit date:2021-08-11
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
7V3R
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BU of 7v3r by Molmil
Crystal structure of CMET in complex with a novel inhibitor
Descriptor: Hepatocyte growth factor receptor, ~{N}1'-[3-fluoranyl-4-(2-phenylazanylpyrimidin-4-yl)oxy-phenyl]-~{N}1-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Authors:Su, H.X, Liu, Q.F, Chen, T.T, Li, M.J, Xu, Y.C.
Deposit date:2021-08-11
Release date:2022-08-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of 10H-Benzo[b]pyrido[2,3-e][1,4]oxazine AXL Inhibitors via Structure-Based Drug Design Targeting c-Met Kinase
J.Med.Chem., 66, 2023
6IHG
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BU of 6ihg by Molmil
N terminal domain of Mycobacterium avium complex Lon protease
Descriptor: Lon protease
Authors:Chen, X.Y, Zhang, S.J, Bi, F.K, Guo, C.Y, Yao, H.W, Lin, D.H.
Deposit date:2018-09-29
Release date:2019-08-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Crystal structure of the N domain of Lon protease from Mycobacterium avium complex.
Protein Sci., 28, 2019
4IW2
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BU of 4iw2 by Molmil
HSA-glucose complex
Descriptor: D-glucose, PHOSPHATE ION, Serum albumin, ...
Authors:Wang, Y, Yu, H, Shi, X, Luo, Z, Huang, M.
Deposit date:2013-01-23
Release date:2013-04-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural mechanism of ring-opening reaction of glucose by human serum albumin
J.Biol.Chem., 288, 2013
4IW1
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BU of 4iw1 by Molmil
HSA-fructose complex
Descriptor: D-fructose, PHOSPHATE ION, Serum albumin, ...
Authors:Wang, Y, Yu, H, Shi, X, Huang, M.
Deposit date:2013-01-23
Release date:2013-04-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structural mechanism of ring-opening reaction of glucose by human serum albumin
J.Biol.Chem., 288, 2013
4K2C
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BU of 4k2c by Molmil
HSA Ligand Free
Descriptor: Serum albumin
Authors:Wang, Y, Luo, Z, Shi, X, Huang, M.
Deposit date:2013-04-08
Release date:2013-05-01
Last modified:2018-02-21
Method:X-RAY DIFFRACTION (3.23 Å)
Cite:Structural mechanism of ring-opening reaction of glucose by human serum albumin.
J. Biol. Chem., 288, 2013
1NF3
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BU of 1nf3 by Molmil
Structure of Cdc42 in a complex with the GTPase-binding domain of the cell polarity protein, Par6
Descriptor: G25K GTP-binding protein, placental isoform, MAGNESIUM ION, ...
Authors:Garrard, S.M, Capaldo, C.T, Gao, L, Rosen, M.K, Macara, I.G, Tomchick, D.R.
Deposit date:2002-12-12
Release date:2003-03-04
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Cdc42 in a complex with the GTPase-binding domain of the cell polarity protein, Par6
Embo J., 22, 2003

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