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4A5O
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BU of 4a5o by Molmil
Crystal structure of Pseudomonas aeruginosa N5, N10- methylenetetrahydrofolate dehydrogenase-cyclohydrolase (FolD)
Descriptor: BIFUNCTIONAL PROTEIN FOLD, DI(HYDROXYETHYL)ETHER, GLYCEROL
Authors:Eadsforth, T.C, Gardiner, M, Maluf, F.V, McElroy, S, James, D, Frearson, J, Gray, D, Hunter, W.N.
Deposit date:2011-10-26
Release date:2011-11-16
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Assessment of Pseudomonas Aeruginosa N(5),N(10)-Methylenetetrahydrofolate Dehydrogenase - Cyclohydrolase as a Potential Antibacterial Drug Target.
Plos One, 7, 2012
4BKK
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BU of 4bkk by Molmil
The Respiratory Syncytial Virus nucleoprotein-RNA complex forms a left-handed helical nucleocapsid.
Descriptor: NUCLEOPROTEIN, RNA (161-MER)
Authors:Bakker, S.E, Duquerroy, S, Galloux, M, Loney, C, Conner, E, Eleouet, J.F, Rey, F.A, Bhella, D.
Deposit date:2013-04-26
Release date:2013-10-30
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY
Cite:The Respiratory Syncytial Virus Nucleoprotein-RNA Complex Forms a Left-Handed Helical Nucleocapsid.
J.Gen.Virol., 94, 2013
4CBG
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BU of 4cbg by Molmil
Pestivirus NS3 helicase
Descriptor: ACETATE ION, SERINE PROTEASE NS3
Authors:Tortorici, M.A, Duquerroy, S, Kwok, J, Vonrhein, C, Perez, J, Lamp, B, Bricogne, G, Rumenapf, T, Vachette, P, Rey, F.A.
Deposit date:2013-10-14
Release date:2015-01-21
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:X-Ray Structure of the Pestivirus Ns3 Helicase and its Conformation in Solution.
J.Virol., 89, 2015
4CBL
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BU of 4cbl by Molmil
Pestivirus NS3 helicase
Descriptor: SERINE PROTEASE NS3
Authors:Tortorici, M.A, Duquerroy, S, Kwok, J, Vonrhein, C, Perez, J, Lamp, B, Bricogne, G, Rumenapf, T, Vachette, P, Rey, F.A.
Deposit date:2013-10-14
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:X-Ray Structure of the Pestivirus Ns3 Helicase and its Conformation in Solution.
J.Virol., 89, 2015
4CBI
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BU of 4cbi by Molmil
Pestivirus NS3 helicase
Descriptor: SERINE PROTEASE NS3
Authors:Tortorici, M.A, Duquerroy, S, Kwok, J, Vonrhein, C, Perez, J, Lamp, B, Bricogne, G, Rumenapf, T, Vachette, P, Rey, F.A.
Deposit date:2013-10-14
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:X-Ray Structure of the Pestivirus Ns3 Helicase and its Conformation in Solution.
J.Virol., 89, 2015
8EC3
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BU of 8ec3 by Molmil
The crystal structure of the complement inhibitory domain of Borrelia hermsii FbpC.
Descriptor: Fibronectin-binding protein, MAGNESIUM ION
Authors:Booth, C.E, Garcia, B.L.
Deposit date:2022-09-01
Release date:2023-06-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational dynamics of complement protease C1r inhibitor proteins from Lyme disease- and relapsing fever-causing spirochetes.
J.Biol.Chem., 299, 2023
4NCG
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BU of 4ncg by Molmil
Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
Descriptor: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
Authors:Yan, Y.
Deposit date:2013-10-24
Release date:2014-02-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24, 2014
4EWQ
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BU of 4ewq by Molmil
Human p38 alpha MAPK in complex with a pyridazine based inhibitor
Descriptor: 3-phenyl-4-(pyridin-4-yl)-6-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine, 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE, ACETATE ION, ...
Authors:Grum-Tokars, V, Minasov, G, Roy, S, Schavocky, J, Winsor, J, Watterson, D.M, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-04-27
Release date:2012-06-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Selective and Brain Penetrant p38 alpha MAPK Inhibitor Candidate for Neurologic and Neuropsychiatric Disorders That Attenuates Neuroinflammation and Cognitive Dysfunction.
J.Med.Chem., 62, 2019
7RA5
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BU of 7ra5 by Molmil
CDK2 IN COMPLEX WITH COMPOUND 4
Descriptor: 4-[7-(methanesulfonyl)-1H-indol-3-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine, Cyclin-dependent kinase 2
Authors:Marineau, J.J, Malojcic, G.
Deposit date:2021-06-30
Release date:2021-11-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of SY-5609: A Selective, Noncovalent Inhibitor of CDK7.
J.Med.Chem., 65, 2022
7RRO
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BU of 7rro by Molmil
Structure of the 48-nm repeat doublet microtubule from bovine tracheal cilia
Descriptor: Armadillo repeat containing 4, Chromosome 3 C1orf194 homolog, Cilia and flagella associated protein 161, ...
Authors:Gui, M, Anderson, J.R, Botsch, J.J, Meleppattu, S, Singh, S.K, Zhang, Q, Brown, A.
Deposit date:2021-08-10
Release date:2021-10-27
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:De novo identification of mammalian ciliary motility proteins using cryo-EM.
Cell, 184, 2021
4S1G
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BU of 4s1g by Molmil
Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
Authors:Orth, P.
Deposit date:2015-01-13
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
7RK8
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BU of 7rk8 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 9 with Engineered Peptide Domain PHP.B (AAV9-PHP.B)
Descriptor: Capsid protein VP1
Authors:Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2021-07-22
Release date:2021-08-04
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
7RK9
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BU of 7rk9 by Molmil
Cryo-EM Structure of Adeno-Associated Virus Serotype 1 with Engineered Peptide Domain PHP.B (AAV1-PHP.B)
Descriptor: Capsid protein
Authors:Fluck, E.C, Pumroy, R.A, Moiseenkova-Bell, V.Y.
Deposit date:2021-07-22
Release date:2021-08-04
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.32 Å)
Cite:Context-Specific Function of the Engineered Peptide Domain of PHP.B.
J.Virol., 95, 2021
7VQH
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BU of 7vqh by Molmil
Solution NMR structure of Escherichia coli Total Lipid Extract Bicelle bound VR18 Antimicrobial Peptide
Descriptor: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG (VR18)
Authors:Mohid, S.A, Bhunia, A.
Deposit date:2021-10-20
Release date:2022-01-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A rationally designed synthetic antimicrobial peptide against Pseudomonas-associated corneal keratitis: Structure-function correlation.
Biophys.Chem., 286, 2022
7VQI
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BU of 7vqi by Molmil
Solution NMR structure of Pseudomonas aeruginosa Lipopolysaccharide (LPS) Bicelle bound VR18 Antimicrobial Peptide
Descriptor: VAL-ALA-ARG-GLY-TRP-GLY-ARG-LYS-CYS-PRO-LEU-PHE-GLY-LYS-ASN-LYS-SER-ARG (VR18)
Authors:Mohid, S.A, Bhunia, A.
Deposit date:2021-10-20
Release date:2022-01-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:A rationally designed synthetic antimicrobial peptide against Pseudomonas-associated corneal keratitis: Structure-function correlation.
Biophys.Chem., 286, 2022
1RHM
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BU of 1rhm by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A NICOTINIC ACID ALDEHYDE INHIBITOR
Descriptor: 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID, CASP-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RE1
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BU of 1re1 by Molmil
CRYSTAL STRUCTURE OF CASPASE-3 WITH A NICOTINIC ACID ALDEHYDE INHIBITOR
Descriptor: (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-4-OXOBUTANOIC ACID, Caspase-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-06
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis
J.Med.Chem., 47, 2004
1RHJ
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BU of 1rhj by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A PRYAZINONE INHIBITOR
Descriptor: 3-(2-{5-TERT-BUTYL-3-[(4-METHYL-FURAZAN-3-YLMETHYL)-AMINO]-2-OXO-2H-PYRAZIN-1-YL}-BUTYRYLAMINO)-5-(HEXYL-METHYL-AMINO)-4-OXO-PENTANOIC ACID ANION, Caspase-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RHQ
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CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A BROMOMETHOXYPHENYL INHIBITOR
Descriptor: 5-S-benzyl-3-({N-[(5-bromo-2-methoxyphenyl)acetyl]-L-valyl}amino)-2,3-dideoxy-5-thio-D-erythro-pentonic acid, Caspase-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RHK
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BU of 1rhk by Molmil
Crystal structure of the complex of caspase-3 with a phenyl-propyl-ketone inhibitor
Descriptor: Caspase-3, acetyl-asp-glu-val-fpr
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RHR
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BU of 1rhr by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A CINNAMIC ACID METHYL ESTER INHIBITOR
Descriptor: (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID, Caspase-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
1RHU
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BU of 1rhu by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF CASPASE-3 WITH A 5,6,7 TRICYCLIC PEPTIDOMIMETIC INHIBITOR
Descriptor: (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-HEXAHYDROAZEPINO[3,2,1-HI]INDOL-2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-4-OXOPENTANOIC ACID, Caspase-3
Authors:Becker, J.W, Rotonda, J, Soisson, S.M.
Deposit date:2003-11-14
Release date:2004-05-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Reducing the Peptidyl Features of Caspase-3 Inhibitors: A Structural Analysis.
J.Med.Chem., 47, 2004
8GJ9
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BU of 8gj9 by Molmil
RAD51C N-terminal domain
Descriptor: RAD51C, ZINC ION
Authors:Arvai, A.S, Tainer, J.A, Williams, G.
Deposit date:2023-03-15
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
8GJA
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RAD51C-XRCC3 structure
Descriptor: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, RAD51C, ...
Authors:Arvai, A.S, Tainer, J.A, Williams, G, Longo, M.A.
Deposit date:2023-03-15
Release date:2023-08-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023
8GJ8
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BU of 8gj8 by Molmil
RAD51C C-terminal domain
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RAD51C
Authors:Arvai, A.S, Tainer, J.A, Williams, G.
Deposit date:2023-03-15
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:RAD51C-XRCC3 structure and cancer patient mutations define DNA replication roles.
Nat Commun, 14, 2023

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