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PDB: 5628 results

8FJU
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BU of 8fju by Molmil
Human mitochondrial serine hydroxymethyltransferase (SHMT2) in complex with PLP, glycine and AGF347 inhibitor
Descriptor: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-{4-[4-(2-amino-4-oxo-3,4-dihydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)butyl]-2-fluorobenzoyl}-L-glutamic acid, Serine hydroxymethyltransferase, ...
Authors:Katinas, J.M, Dann III, C.E.
Deposit date:2022-12-20
Release date:2023-09-06
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria.
J.Med.Chem., 66, 2023
4XQW
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BU of 4xqw by Molmil
X-ray structure analysis of xylanase-N44E with MES at pH6.0
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-20
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
5FEX
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BU of 5fex by Molmil
HydE from T. maritima in complex with Se-adenosyl-L-selenocysteine (tfinal of the reaction)
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, 5'-DEOXYADENOSINE, CHLORIDE ION, ...
Authors:Rohac, R, Amara, P, Benjdia, A, Martin, L, Ruffie, P, Favier, A, Berteau, O, Mouesca, J.M, Fontecilla-Camps, J.C, Nicolet, Y.
Deposit date:2015-12-17
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Carbon-sulfur bond-forming reaction catalysed by the radical SAM enzyme HydE.
Nat.Chem., 8, 2016
4XPV
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BU of 4xpv by Molmil
Neutron and X-ray structure analysis of xylanase: N44D at pH6
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-18
Release date:2015-09-30
Last modified:2023-09-27
Method:NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
7L0A
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BU of 7l0a by Molmil
Crystal structure of s-formylglutathione hydrolase (FrmB) from Staphylococcus aureus, apoenzyme
Descriptor: Esterase family protein, MAGNESIUM ION
Authors:Miller, J.J, Jez, J.M, Odom John, A.R.
Deposit date:2020-12-11
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-guided microbial targeting of antistaphylococcal prodrugs.
Elife, 10, 2021
8F8K
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BU of 8f8k by Molmil
The structure of Rv2173 from M. tuberculosis with IPP bound
Descriptor: (2E,6E)-farnesyl diphosphate synthase, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, ACETATE ION, ...
Authors:Johnston, J.M, Allison, T.M, Titterington, J, Beasley, C.P.H.
Deposit date:2022-11-22
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms.
To be Published
8F8F
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BU of 8f8f by Molmil
The structure of Rv2173 from M. tuberculosis (APO form)
Descriptor: (2E,6E)-farnesyl diphosphate synthase, GLYCEROL, MAGNESIUM ION
Authors:Johnston, J.M, Allison, T.M, Titterington, J.
Deposit date:2022-11-22
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms.
To be Published
8F8L
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BU of 8f8l by Molmil
The structure of Rv2173 from M. tuberculosis with DMAP bound
Descriptor: (2E,6E)-farnesyl diphosphate synthase, CALCIUM ION, DIMETHYLALLYL DIPHOSPHATE, ...
Authors:Johnston, J.M, Allison, T.M, Titterington, J.
Deposit date:2022-11-22
Release date:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The structure of Rv2173 from M. tuberculosis in APO-, IPP-, and DMAP-bound forms.
To be Published
5FXC
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BU of 5fxc by Molmil
Crystal structure of glycopeptide 22 in complex with scFv-SM3
Descriptor: 1,2-ETHANEDIOL, GLYCOPEPTIDE, SCFV-SM3
Authors:Rojas-Ocariz, V, Companon, I, Aydillo, C, Castro-Lopez, J, Jimenez-Barbero, J, Hurtado-Guerrero, R, Avenoza, A, Zurbano, M.M, Corzana, F, Busto, J.H, Peregrina, J.M.
Deposit date:2016-02-29
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design of Alpha-S-Glycopeptides Derived from Muc1 with a Flexible and Solvent Exposed Sugar Moiety
J.Org.Chem., 81, 2016
5FQQ
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BU of 5fqq by Molmil
Last common ancestor of Gram-negative bacteria (GNCA4) beta-lactamase class A
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, DI(HYDROXYETHYL)ETHER, GNCA4 LACTAMASE
Authors:Gavira, J.A, Martinez-Rodriguez, S, Risso, V.A, Sanchez-Ruiz, J.M.
Deposit date:2015-12-14
Release date:2016-12-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:De novo active sites for resurrected Precambrian enzymes.
Nat Commun, 8, 2017
5GLA
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BU of 5gla by Molmil
Crystal structure of the class A beta-lactamase PenL-tTR10 containing 10 residues insertion in omega-loop
Descriptor: Beta-lactamase
Authors:Choi, J.M, Yi, H, Kim, H.S, Lee, S.H.
Deposit date:2016-07-10
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
5GL9
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BU of 5gl9 by Molmil
Crystal structure of the class A beta-lactamase PenL
Descriptor: Beta-lactamase, GLYCEROL
Authors:Choi, J.M, Yi, H, Kim, H.S, Lee, S.H.
Deposit date:2016-07-10
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
4XQ4
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BU of 4xq4 by Molmil
X-ray structure analysis of xylanase - N44D
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Wan, Q, Park, J.M, Riccardi, D.M, Hanson, L.B, Fisher, Z, Smith, J.C, Ostermann, A, Schrader, T, Graham, D.E, Coates, L, Langan, P, Kovalevsky, A.Y.
Deposit date:2015-01-19
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.
Proc.Natl.Acad.Sci.USA, 112, 2015
8FYZ
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BU of 8fyz by Molmil
Crystal structure of human PARP1 ART domain bound to inhibitor UKTT10 (compound 13)
Descriptor: (2P)-2-{3-[(4R)-3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl]phenyl}-1H-benzimidazole-4-carboxamide, CITRIC ACID, DIMETHYL SULFOXIDE, ...
Authors:Rouleau-Turcotte, E, Pascal, J.M.
Deposit date:2023-01-27
Release date:2024-02-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
8FYY
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BU of 8fyy by Molmil
Crystal structure of human PARP1 ART domain bound to inhibitor UKTT5 (compound 10)
Descriptor: 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Rouleau-Turcotte, E, Pascal, J.M.
Deposit date:2023-01-27
Release date:2024-02-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
8G0H
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BU of 8g0h by Molmil
Human PARP1 deltaV687-E688 bound to UKTT5 (compound 10) and to a DNA double strand break.
Descriptor: 2-(4-{[2-(1H-benzimidazol-2-yl)ethyl]carbamoyl}phenyl)-1H-benzimidazole-7-carboxamide, DNA (5'-D(*CP*GP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*CP*G)-3'), ...
Authors:Rouleau-Turcotte, E, Pascal, J.M.
Deposit date:2023-01-31
Release date:2024-02-07
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
8FZ1
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BU of 8fz1 by Molmil
Crystal structure of human PARP1 ART domain bound to inhibitor UKTT22 (compound 14)
Descriptor: (2P)-2-{3-[(2-amino-4,5-dimethylphenyl)carbamoyl]phenyl}-1H-benzimidazole-4-carboxamide, 1,2-ETHANEDIOL, CITRIC ACID, ...
Authors:Rouleau-Turcotte, E, Pascal, J.M.
Deposit date:2023-01-27
Release date:2024-02-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Novel modifications of PARP inhibitor veliparib increase PARP1 binding to DNA breaks.
Biochem.J., 481, 2024
7SPV
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BU of 7spv by Molmil
Crystal structure of photoactive yellow protein (PYP); F92oCNF construct
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Weaver, J.B, Kirsh, J.M, Boxer, S.G.
Deposit date:2021-11-03
Release date:2022-05-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
7SPW
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BU of 7spw by Molmil
Crystal structure of photoactive yellow protein (PYP); F62oCNF construct
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Weaver, J.B, Kirsh, J.M, Boxer, S.G.
Deposit date:2021-11-03
Release date:2022-05-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
7SPX
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BU of 7spx by Molmil
Crystal structure of photoactive yellow protein (PYP); F28oCNF construct
Descriptor: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
Authors:Weaver, J.B, Kirsh, J.M, Boxer, S.G.
Deposit date:2021-11-03
Release date:2022-05-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Nitrile Infrared Intensities Characterize Electric Fields and Hydrogen Bonding in Protic, Aprotic, and Protein Environments.
J.Am.Chem.Soc., 144, 2022
7T8Y
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BU of 7t8y by Molmil
Structure of Class A sortase from Streptococcus pyogenes bound to lipid II mimetic, LPATA: Thr-in conformation
Descriptor: ACE-ALA-ZGL-LYS-DAL-DAL, BE2-LEU-PRO-ALA-THR-ALA-ALA, Sortase
Authors:Piper, I.M, Antos, J.M, Amacher, J.F.
Deposit date:2021-12-17
Release date:2022-09-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structures of Streptococcus pyogenes class A sortase in complex with substrate and product mimics provide key details of target recognition.
J.Biol.Chem., 298, 2022
5GLB
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BU of 5glb by Molmil
Crystal structure of the class A beta-lactamase PenL-tTR10 in complex with CBA
Descriptor: Beta-lactamase, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Choi, J.M, Yi, H, Kim, H.S, Lee, S.H.
Deposit date:2016-07-10
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High adaptability of the omega loop underlies the substrate-spectrum-extension evolution of a class A beta-lactamase, PenL
Sci Rep, 6, 2016
8GIU
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BU of 8giu by Molmil
Mycobacterium phage Patience
Descriptor: Capsid protein, gp_22 (Minor Capsid Protein), gp_4 (capsid accessory protein)
Authors:Podgorski, J.M, White, S.J.
Deposit date:2023-03-14
Release date:2023-05-24
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:A novel accessory protein stabilizes the capsid of two actinobacteriophages
To Be Published
7SX1
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BU of 7sx1 by Molmil
human triosephosphate isomerase mutant v154m
Descriptor: ISOPROPYL ALCOHOL, Triosephosphate isomerase
Authors:Romero, J.M.
Deposit date:2021-11-22
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:human triosephosphate isomerase mutant v154m
To Be Published
7T0Q
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BU of 7t0q by Molmil
human triosephosphate isomerase mutant v154m
Descriptor: 2-PHOSPHOGLYCOLIC ACID, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Romero, J.M.
Deposit date:2021-11-30
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:human triosephosphate isomerase mutant v154m
To Be Published

224201

数据于2024-08-28公开中

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