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8D3G
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BU of 8d3g by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-chloroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 6-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3J
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BU of 8d3j by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 6-fluoro-2-methylquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 6-fluoro-2-methylquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3E
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BU of 8d3e by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 6-fluoroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 6-fluoroquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3O
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BU of 8d3o by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-methoxyquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 8-methoxyquinolin-4-amine, Apoptosis-inducing factor (AIF), ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3I
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BU of 8d3i by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with quinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, Apoptosis-inducing factor 1, mitochondrial, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3H
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BU of 8d3h by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) W196A mutant complexed with 7-chloroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 7-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3N
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BU of 8d3n by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 7-chloroquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 7-chloroquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
8D3K
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BU of 8d3k by Molmil
Crystal structure of human Apoptosis-Inducing Factor (AIF) complexed with 8-fluoro-2-methylquinolin-4-amine
Descriptor: 1,2-ETHANEDIOL, 8-fluoro-2-methylquinolin-4-amine, Apoptosis-inducing factor 1, ...
Authors:Brosey, C.A, Tainer, J.A.
Deposit date:2022-06-01
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Chemical screening by time-resolved X-ray scattering to discover allosteric probes.
Nat.Chem.Biol., 2024
7UM3
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BU of 7um3 by Molmil
Crystal structure of a Fab in complex with a peptide derived from the LAG-3 D1 domain loop insertion
Descriptor: D1 domain loop peptide from Lymphocyte activation gene 3 protein, Fab heavy chain, Fab light chain
Authors:Zorn, J.A, Lee, P.S, Rajpal, A, Strop, P.
Deposit date:2022-04-06
Release date:2022-09-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.3983 Å)
Cite:Preclinical Characterization of Relatlimab, a Human LAG-3-Blocking Antibody, Alone or in Combination with Nivolumab.
Cancer Immunol Res, 10, 2022
8C0P
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BU of 8c0p by Molmil
Crystal structure of S. aureus BlaR1 sensor domain in complex with a boronate inhibitor
Descriptor: Regulatory protein BlaR1, [1-[[2,4-bis(trifluoromethyl)phenyl]methyl]benzimidazol-2-yl]sulfanylmethyl-$l^{3}-oxidanyl-bis(oxidanyl)boron
Authors:Miguel-Ruano, V, Jimenez-Faraco, E, Hermoso, J.A.
Deposit date:2022-12-19
Release date:2024-07-10
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Restoring susceptibility to beta-lactam antibiotics in methicillin-resistant Staphylococcus aureus.
Nat.Chem.Biol., 2024
8C0S
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BU of 8c0s by Molmil
Crystal structure of S. aureus BlaR1 sensor domain in complex with an imidazole inhibitor
Descriptor: 3-[[2,4-bis(trifluoromethyl)phenyl]methyl]-5-(hydroxymethyl)-1~{H}-imidazole-2-thione, Regulatory protein BlaR1
Authors:Miguel-Ruano, V, Hermoso, J.A.
Deposit date:2022-12-19
Release date:2024-07-10
Last modified:2024-09-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Restoring susceptibility to beta-lactam antibiotics in methicillin-resistant Staphylococcus aureus.
Nat.Chem.Biol., 2024
8CF3
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BU of 8cf3 by Molmil
Crystal structure of S. aureus BlaR1 sensor domain in complex with cefepime
Descriptor: Cefepime (open), Regulatory protein BlaR1
Authors:Miguel-Ruano, V, Hermoso, J.A.
Deposit date:2023-02-02
Release date:2024-09-04
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Restoring susceptibility to beta-lactam antibiotics in methicillin-resistant Staphylococcus aureus.
Nat.Chem.Biol., 2024
7UJA
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BU of 7uja by Molmil
Cryo-EM structure of Human respiratory syncytial virus F variant (construct pXCS847A)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, AM14 Fab heavy chain, AM14 Fab light chain, ...
Authors:Lees, J.A, Ammirati, M, Han, S.
Deposit date:2022-03-30
Release date:2023-04-19
Last modified:2023-05-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Rational design of a highly immunogenic prefusion-stabilized F glycoprotein antigen for a respiratory syncytial virus vaccine.
Sci Transl Med, 15, 2023
3C1P
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BU of 3c1p by Molmil
Crystal Structure of an alternating D-Alanyl, L-Homoalanyl PNA
Descriptor: Peptide Nucleic Acid DLY-HGL-AGD-LHC-AGD-LHC-CUD-LYS
Authors:Cuesta-Seijo, J.A, Sheldrick, G.M, Zhang, J, Diederichsen, U.
Deposit date:2008-01-23
Release date:2009-01-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1 Å)
Cite:Continuous beta-turn fold of an alternating alanyl/homoalanyl peptide nucleic acid.
Acta Crystallogr.,Sect.D, 68, 2012
3C7O
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BU of 3c7o by Molmil
Crystal structure of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase from Bacillus subtilis in complex with cellotetraose.
Descriptor: CALCIUM ION, Endo-1,4-beta-xylanase, FORMIC ACID, ...
Authors:Vandermarliere, E, Bourgois, T.M, Winn, M.D, Van Campenhout, S, Volckaert, G, Strelkov, S.V, Delcour, J.A, Rabijns, A, Courtin, C.M.
Deposit date:2008-02-08
Release date:2008-11-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of a glycoside hydrolase family 43 arabinoxylan arabinofuranohydrolase in complex with xylotetraose reveals a different binding mechanism compared with other members of the same family.
Biochem.J., 418, 2009
8EUH
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BU of 8euh by Molmil
cytochrome P450terp (cyp108A1) bound to alpha-terpineol
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Gable, J.A, Follmer, A.H, Poulos, T.L.
Deposit date:2022-10-18
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
8EUK
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BU of 8euk by Molmil
cytochrome P450terp (cyp108A1) bound to ethylene glycol
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gable, J.A, Follmer, A.H, Poulos, T.L.
Deposit date:2022-10-18
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
3BJ4
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BU of 3bj4 by Molmil
The KCNQ1 (Kv7.1) C-terminus, a multi-tiered scaffold for subunit assembly and protein interaction
Descriptor: NICKEL (II) ION, Potassium voltage-gated channel subfamily KQT member 1
Authors:Wiener, R, Hirsch, J.A.
Deposit date:2007-12-03
Release date:2008-01-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:The KCNQ1 (Kv7.1) COOH terminus, a multitiered scaffold for subunit assembly and protein interaction.
J.Biol.Chem., 283, 2008
8EUL
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BU of 8eul by Molmil
cytochrome P450terp (cyp108A1) mutant F188A bound to alpha-terpineol
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450-terp, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Gable, J.A, Follmer, A.H, Poulos, T.L.
Deposit date:2022-10-18
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Cooperative Substrate Binding Controls Catalysis in Bacterial Cytochrome P450terp (CYP108A1).
J.Am.Chem.Soc., 2023
1T9H
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BU of 1t9h by Molmil
The crystal structure of YloQ, a circularly permuted GTPase.
Descriptor: ACETATE ION, CALCIUM ION, Probable GTPase engC, ...
Authors:Levdikov, V.M, Blagova, E.V, Brannigan, J.A, Cladiere, L, Antson, A.A, Isupov, M.N, Seror, S.J, Wilkinson, A.J.
Deposit date:2004-05-17
Release date:2004-11-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The Crystal Structure of YloQ, a Circularly Permuted GTPase Essential for Bacillus Subtilis Viability.
J.Mol.Biol., 340, 2004
2YN4
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BU of 2yn4 by Molmil
L-2-chlorobutryic acid bound complex L-haloacid dehalogenase from a Rhodobacteraceae family bacterium
Descriptor: (2S)-2-chlorobutanoic acid, L-HALOACID DEHALOGENASE
Authors:Novak, H.R, Sayer, C, Isupov, M.N, Paszkiewicz, K, Gotz, D, Spragg, A.M, Littlechild, J.A.
Deposit date:2012-10-12
Release date:2013-05-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Marine Rhodobacteraceae L-Haloacid Dehalogenase Contains a Novel His/Glu Dyad that Could Activate the Catalytic Water.
FEBS J., 280, 2013
8ESW
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BU of 8esw by Molmil
Structure of mitochondrial complex I from Drosophila melanogaster, Flexible-class 1
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Padavannil, A, Letts, J.A.
Deposit date:2022-10-15
Release date:2023-03-29
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Resting mitochondrial complex I from Drosophila melanogaster adopts a helix-locked state.
Elife, 12, 2023
2Y8Y
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BU of 2y8y by Molmil
Structure B of CRISPR endoribonuclease Cse3 bound to 19 nt RNA
Descriptor: 5'-R(*UP*CP*CP*CP*CP*AP*CP*GP*CP*GP*UP*GP*UP*GP *GP*GP*DGP*AP*U)-3', CSE3
Authors:Sashital, D.G, Jinek, M, Doudna, J.A.
Deposit date:2011-02-11
Release date:2011-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:An RNA-Induced Conformational Change Required for Crispr RNA Cleavage by the Endoribonuclease Cse3.
Nat.Struct.Mol.Biol., 18, 2011
8ESZ
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BU of 8esz by Molmil
Structure of mitochondrial complex I from Drosophila melanogaster, Helix-locked state
Descriptor: (2R)-3-{[(S)-hydroxy(3-methylbutoxy)phosphoryl]oxy}-2-(octanoyloxy)propyl decanoate, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
Authors:Padavannil, A, Letts, J.A.
Deposit date:2022-10-15
Release date:2023-03-29
Last modified:2023-04-05
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Resting mitochondrial complex I from Drosophila melanogaster adopts a helix-locked state.
Elife, 12, 2023
2Y8W
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BU of 2y8w by Molmil
Structure of CRISPR endoribonuclease Cse3 bound to 20 nt RNA
Descriptor: 5'-R(*UP*CP*CP*CP*CP*AP*CP*GP*CP*GP*UP*GP*UP*GP *GP*GP*DGP*AP*UP*G)-3', CSE3
Authors:Sashital, D.G, Jinek, M, Doudna, J.A.
Deposit date:2011-02-11
Release date:2011-05-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:An RNA-Induced Conformational Change Required for Crispr RNA Cleavage by the Endoribonuclease Cse3.
Nat.Struct.Mol.Biol., 18, 2011

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PDB entries from 2024-10-16

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