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5UPW
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BU of 5upw by Molmil
CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations
Descriptor: Gag polyprotein
Authors:Perilla, J.R.
Deposit date:2017-02-04
Release date:2017-03-01
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (5 Å)
Cite:CryoEM Structure Refinement by Integrating NMR Chemical Shifts with Molecular Dynamics Simulations.
J Phys Chem B, 121, 2017
4ES5
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BU of 4es5 by Molmil
Crystal structure of the cap-binding domain of polymerase basic protein 2 from influenza virus A/Bar-headed Gs/Qinghai/15c/2005 (h5n1) with bound m7GTP
Descriptor: 7N-METHYL-8-HYDROGUANOSINE-5'-TRIPHOSPHATE, Polymerase basic subunit 2, SULFATE ION
Authors:Meng, G, Liu, Y, Zheng, X.
Deposit date:2012-04-22
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional characterization of K339T substitution identified in the PB2 subunit cap-binding pocket of influenza A virus
J.Biol.Chem., 288, 2013
6U8Y
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BU of 6u8y by Molmil
Structure of the membrane-bound sulfane sulfur reductase (MBS), an archaeal respiratory membrane complex
Descriptor: DUF4040 domain-containing protein, IRON/SULFUR CLUSTER, Monovalent cation/H+ antiporter subunit B, ...
Authors:Yu, H.J, Li, H.L.
Deposit date:2019-09-06
Release date:2020-09-09
Last modified:2025-05-28
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structure of the respiratory MBS complex reveals iron-sulfur cluster catalyzed sulfane sulfur reduction in ancient life.
Nat Commun, 11, 2020
8HIH
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BU of 8hih by Molmil
Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Lin, W, Shi, J, Xu, J.C.
Deposit date:2022-11-20
Release date:2023-06-07
Last modified:2024-07-31
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
2FA9
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BU of 2fa9 by Molmil
The crystal structure of Sar1[H79G]-GDP provides insight into the coat-controlled GTP hydrolysis in the disassembly of COP II
Descriptor: GTP-binding protein SAR1b, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Rao, Y, Huang, M, Yuan, C, Bian, C, Hou, X.
Deposit date:2005-12-07
Release date:2006-09-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal Structure of Sar1[H79G]-GDP Which Provides Insight into the Coat-controlled GTP Hydrolysis in the Disassembly of COP II
Chin.J.Struct.Chem., 25, 2006
5BK4
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BU of 5bk4 by Molmil
Cryo-EM structure of Mcm2-7 double hexamer on dsDNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (60-mer), strand 1, ...
Authors:Li, H, Yuan, Z, Bai, L.
Deposit date:2017-09-12
Release date:2017-10-25
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM structure of Mcm2-7 double hexamer on DNA suggests a lagging-strand DNA extrusion model.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3S6K
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BU of 3s6k by Molmil
Crystal structure of xcNAGS
Descriptor: Acetylglutamate kinase
Authors:Shi, D, Li, Y, Cabrera-Luque, J, Jin, Z, Yu, X, Allewell, N.M, Tuchman, M.
Deposit date:2011-05-25
Release date:2012-04-18
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.8018 Å)
Cite:A Novel N-acetylglutamate synthase architecture revealed by the crystal structure of the bifunctional enzyme from Maricaulis maris.
Plos One, 6, 2011
3S6G
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BU of 3s6g by Molmil
Crystal structures of Seleno-substituted mutant mmNAGS in space group P212121
Descriptor: 1,2-ETHANEDIOL, COENZYME A, MALONATE ION, ...
Authors:Shi, D, Li, Y, Cabrera-Luque, J, Jin, Z, Yu, X, Allewell, N.M, Tuchman, M.
Deposit date:2011-05-25
Release date:2012-04-18
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.6681 Å)
Cite:A Novel N-acetylglutamate synthase architecture revealed by the crystal structure of the bifunctional enzyme from Maricaulis maris.
Plos One, 6, 2011
3S6H
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BU of 3s6h by Molmil
Crystal structure of native mmNAGS/k
Descriptor: COENZYME A, GLUTAMIC ACID, N-acetylglutamate kinase / N-acetylglutamate synthase
Authors:Shi, D, Li, Y, Cabrera-Luque, J, Jin, Z, Yu, X, Allewell, N.M, Tuchman, M.
Deposit date:2011-05-25
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:A Novel N-acetylglutamate synthase architecture revealed by the crystal structure of the bifunctional enzyme from Maricaulis maris.
Plos One, 6, 2011
7ER3
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BU of 7er3 by Molmil
Crystal structure of beta-lactoglobulin complexed with chloroquine
Descriptor: (4S)-N~4~-(7-chloroquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine, Major allergen beta-lactoglobulin
Authors:Yao, Q, Ma, J, Xing, Y, Zang, J.
Deposit date:2021-05-05
Release date:2022-05-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.598 Å)
Cite:Binding of Chloroquine to Whey Protein Relieves Its Cytotoxicity while Enhancing Its Uptake by Cells.
J.Agric.Food Chem., 69, 2021
9MXF
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BU of 9mxf by Molmil
GRN-P4A isomer 1, granulin
Descriptor: Granulin peptide
Authors:Raffaelli, T, Daly, N.
Deposit date:2025-01-19
Release date:2025-06-18
Method:SOLUTION NMR
Cite:Topological isomers of a potent wound healing peptide: structural insights and implications for bioactivity.
J.Biol.Chem., 2025
9MXE
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BU of 9mxe by Molmil
GRN-P4A isomer 2, granulin
Descriptor: Granulin peptide
Authors:Raffaelli, T, Daly, N.
Deposit date:2025-01-19
Release date:2025-06-18
Method:SOLUTION NMR
Cite:Topological isomers of a potent wound healing peptide: structural insights and implications for bioactivity.
J.Biol.Chem., 2025
9MXG
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BU of 9mxg by Molmil
GRN-P4A mutant, granulin
Descriptor: Granulin peptide
Authors:Raffaelli, T, Daly, N.
Deposit date:2025-01-19
Release date:2025-06-18
Method:SOLUTION NMR
Cite:Topological isomers of a potent wound healing peptide: structural insights and implications for bioactivity.
J.Biol.Chem., 2025
4WQ6
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BU of 4wq6 by Molmil
The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21)
Descriptor: 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Li, D, Wang, W.
Deposit date:2014-10-21
Release date:2015-02-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
3QN7
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BU of 3qn7 by Molmil
Potent and selective bicyclic peptide inhibitor (UK18) of human urokinase-type plasminogen activator(uPA)
Descriptor: 1,3,5-tris(bromomethyl)benzene, Bicyclic peptide inhibitor, Urokinase-type plasminogen activator
Authors:Angelini, A, Cendron, L, Touati, J, Winter, G, Zanotti, G, Heinis, C.
Deposit date:2011-02-08
Release date:2012-02-15
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bicyclic peptide inhibitor reveals large contact interface with a protease target
Acs Chem.Biol., 7, 2012
6S1K
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BU of 6s1k by Molmil
E. coli Core Signaling Unit, carrying QQQQ receptor mutation
Descriptor: CheW, Chemotaxis protein CheA, Methyl-accepting chemotaxis protein I
Authors:Cassidy, C.K.
Deposit date:2019-06-18
Release date:2020-01-22
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (8.38 Å)
Cite:Structure and dynamics of the E. coli chemotaxis core signaling complex by cryo-electron tomography and molecular simulations.
Commun Biol, 3, 2020
6PTJ
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BU of 6ptj by Molmil
Structure of Ctf4 trimer in complex with one CMG helicase
Descriptor: Cell division control protein 45, DNA polymerase alpha-binding protein, DNA replication complex GINS protein PSF1, ...
Authors:Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H.
Deposit date:2019-07-15
Release date:2019-11-20
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Ctf4 organizes sister replisomes and Pol alpha into a replication factory.
Elife, 8, 2019
6PTO
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BU of 6pto by Molmil
Structure of Ctf4 trimer in complex with three CMG helicases
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA polymerase alpha-binding protein, ...
Authors:Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H.
Deposit date:2019-07-16
Release date:2019-11-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Ctf4 organizes sister replisomes and Pol alpha into a replication factory.
Elife, 8, 2019
6PSY
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BU of 6psy by Molmil
Cryo-EM structure of S. cerevisiae Drs2p-Cdc50p in the autoinhibited apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ...
Authors:Bai, L, Li, H.
Deposit date:2019-07-14
Release date:2019-09-25
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Autoinhibition and activation mechanisms of the eukaryotic lipid flippase Drs2p-Cdc50p.
Nat Commun, 10, 2019
6PTN
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BU of 6ptn by Molmil
Structure of Ctf4 trimer in complex with two CMG helicases
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cell division control protein 45, DNA polymerase alpha-binding protein, ...
Authors:Yuan, Z, Georgescu, R, Bai, L, Santos, R, Donnell, M, Li, H.
Deposit date:2019-07-16
Release date:2019-11-20
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Ctf4 organizes sister replisomes and Pol alpha into a replication factory.
Elife, 8, 2019
6PSX
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BU of 6psx by Molmil
Cryo-EM structure of S. cerevisiae Drs2p-Cdc50p in the PI4P-activated form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cell division control protein 50, ...
Authors:Bai, L, Li, H.
Deposit date:2019-07-14
Release date:2019-09-25
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Autoinhibition and activation mechanisms of the eukaryotic lipid flippase Drs2p-Cdc50p.
Nat Commun, 10, 2019
6YJ5
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BU of 6yj5 by Molmil
Focused refinement cryo-EM structure of the yeast mitochondrial complex I sub-stoichiometric sulfur transferase subunit
Descriptor: Rhodanese-like domain-containing protein
Authors:Hirst, J, Grba, D.
Deposit date:2020-04-02
Release date:2020-08-12
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Intrinsic curvature of the HIV-1 CA hexamer underlies capsid topology and interaction with cyclophilin A.
Nat.Struct.Mol.Biol., 27, 2020
3BLI
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BU of 3bli by Molmil
Crystal structure of the catalytic domain of LiCMS in complexed with pyruvate and acetyl-CoA
Descriptor: ACETYL COENZYME *A, Citramalate synthase from Leptospira interrogans, PYRUVIC ACID, ...
Authors:Zhang, P, Ma, J.
Deposit date:2007-12-11
Release date:2008-11-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis of the substrate specificity and the catalytic mechanism of citramalate synthase from Leptospira interrogans
Biochem.J., 415, 2008
3BLE
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BU of 3ble by Molmil
Crystal structure of the catalytic domain of LiCMS in complexed with malonate
Descriptor: Citramalate synthase from Leptospira interrogans, MALONATE ION, ZINC ION
Authors:Zhang, P, Ma, J.
Deposit date:2007-12-11
Release date:2008-11-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis of the substrate specificity and the catalytic mechanism of citramalate synthase from Leptospira interrogans
Biochem.J., 415, 2008
5KIT
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BU of 5kit by Molmil
Crystal Structure of Nicotinamide Phosphoribosyltransferase (Nampt) in Complex with Inhibitors 37
Descriptor: 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION, ...
Authors:Li, D, Wang, W.
Deposit date:2016-06-17
Release date:2016-08-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Minimizing CYP2C9 Inhibition of Exposed-Pyridine NAMPT (Nicotinamide Phosphoribosyltransferase) Inhibitors.
J.Med.Chem., 59, 2016

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