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5TT2
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BU of 5tt2 by Molmil
Inactive conformation of engineered human cystathionine gamma lyase (E59N, R119L, E339V) to depleting methionine
Descriptor: Cystathionine gamma-lyase, SULFATE ION
Authors:Yan, W, Zhang, Y.
Deposit date:2016-10-31
Release date:2017-10-11
Last modified:2019-11-27
Method:X-RAY DIFFRACTION (2.949 Å)
Cite:Structural Snapshots of an Engineered Cystathionine-gamma-lyase Reveal the Critical Role of Electrostatic Interactions in the Active Site.
Biochemistry, 56, 2017
5MX8
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BU of 5mx8 by Molmil
Crystal structure of H. pylori purine nucleoside phosphorylase from clinical isolate HpPNP-3
Descriptor: HYPOXANTHINE, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type, ...
Authors:Stefanic, Z.
Deposit date:2017-01-21
Release date:2017-04-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural characterization of purine nucleoside phosphorylase from human pathogen Helicobacter pylori.
Int. J. Biol. Macromol., 101, 2017
6R6M
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BU of 6r6m by Molmil
Kusta0087/Kusta0088 Complex purified from Kuenenia stuttgartiensis
Descriptor: HEME C, Kusta0088, Small soluble cyt c
Authors:Akram, M, Barends, T.
Deposit date:2019-03-27
Release date:2019-10-02
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A nitric oxide-binding heterodimeric cytochromeccomplex from the anammox bacteriumKuenenia stuttgartiensisbinds to hydrazine synthase.
J.Biol.Chem., 294, 2019
5MP1
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BU of 5mp1 by Molmil
Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 7.5
Descriptor: Microtubule-associated protein tau, antibody Fab heavy chain, antibody Fab light chain
Authors:Skrabana, R, Novak, M, Cehlar, O, Kontsekova, E.
Deposit date:2016-12-15
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal structure of DC8E8 Fab in the complex with a 14-mer tau peptide at pH 7.5
To be published
5K7E
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BU of 5k7e by Molmil
The structure of pistol ribozyme, soaked with Mn2+
Descriptor: DNA/RNA 11-MER, MANGANESE (II) ION, RNA 47-MER
Authors:Ren, A, Patel, D.
Deposit date:2016-05-26
Release date:2016-07-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage.
Nat.Chem.Biol., 12, 2016
5K85
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BU of 5k85 by Molmil
Crystal Structure of Acetyl-CoA Synthetase in Complex with Adenosine-5'-propylphosphate and Coenzyme A from Cryptococcus neoformans H99
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER, Acetyl-coenzyme A synthetase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Fox III, D, Delker, S.L, Potts, K.T, Lorimer, D.D, Edwards, T.E, Mutz, M.W, SSGCID
Deposit date:2016-05-27
Release date:2016-08-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:CRYSTAL STRUCTURE OF ACETYL-COA SYNTHETASE IN COMPLEX WITH ADENOSINE-5'-PROPYLPHOSPHATE AND COENZYME A FROM CRYPTOCOCCUS NEOFORMANS H99
To Be Published
5MXQ
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BU of 5mxq by Molmil
Crystal Structure of the Acquired VIM-2 Metallo-beta-Lactamase in Complex with ANT-90 Inhibitor
Descriptor: 3-(phenylsulfonylamino)pyridine-2-carboxylic acid, ACETATE ION, Beta-lactamase VIM-2, ...
Authors:Docquier, J.D, De Luca, F, Benvenuti, M, Di Pisa, F, Pozzi, C, Mangani, S.
Deposit date:2017-01-24
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:SAR Studies Leading to the Identification of a Novel Series of Metallo-beta-lactamase Inhibitors for the Treatment of Carbapenem-Resistant Enterobacteriaceae Infections That Display Efficacy in an Animal Infection Model.
Acs Infect Dis., 5, 2019
5JVV
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BU of 5jvv by Molmil
Crystal structure and characterization an elongating GH family 16 beta-1,3-glucosyltransferase
Descriptor: beta-1,3-glucosyltransferase
Authors:Qin, Z, Yan, Q, Yang, S, Jiang, Z.
Deposit date:2016-05-11
Release date:2016-12-14
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.589 Å)
Cite:Catalytic Mechanism of a Novel Glycoside Hydrolase Family 16 "Elongating" beta-Transglycosylase
J. Biol. Chem., 292, 2017
5U1T
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BU of 5u1t by Molmil
Crystal structure of the Saccharomyces cerevisiae separase-securin complex at 2.6 angstrom resolution
Descriptor: Securin, Separin
Authors:Luo, S, Tong, L.
Deposit date:2016-11-29
Release date:2017-02-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Molecular mechanism for the regulation of yeast separase by securin.
Nature, 542, 2017
5MS4
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BU of 5ms4 by Molmil
Kallikrein-related peptidase 8 leupeptin inhibitor complex
Descriptor: CALCIUM ION, Kallikrein-8, LEUPEPTIN, ...
Authors:Debela, M, Magdolen, V, Skala, W, Bode, W, Brandstetter, H, Goettig, P.
Deposit date:2016-12-30
Release date:2018-01-17
Last modified:2019-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural determinants of specificity and regulation of activity in the allosteric loop network of human KLK8/neuropsin.
Sci Rep, 8, 2018
5U9K
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BU of 5u9k by Molmil
Crystal structure of V71F mutant of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1)
Descriptor: Aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1)
Authors:Yadav, R.P, Gakhar, L, Liping, Y, Artemyev, N.O.
Deposit date:2016-12-16
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unique structural features of the AIPL1-FKBP domain that support prenyl lipid binding and underlie protein malfunction in blindness.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6I23
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BU of 6i23 by Molmil
Flavin Analogue Sheds Light on Light-Oxygen-Voltage Domain Mechanism
Descriptor: 1,2-ETHANEDIOL, 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-5-O-phosphono-D-ribitol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Rizkallah, P.J, Kalvaitis, M.E, Allemann, R.K, Mart, R.J, Johnson, L.A.
Deposit date:2018-10-31
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Noncanonical Chromophore Reveals Structural Rearrangements of the Light-Oxygen-Voltage Domain upon Photoactivation.
Biochemistry, 58, 2019
5K14
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BU of 5k14 by Molmil
HIV-1 Reverse Transcriptase in complex with a 2,6-difluorophenyl DAPY analog
Descriptor: 4-{[4-(2,6-difluoro-4-methoxybenzene-1-carbonyl)pyrimidin-2-yl]amino}benzonitrile, HIV-1 reverse transcriptase (isolate LW123), HIV-1 reverse transcriptase(isolate HXB2)
Authors:Lansdon, E.B.
Deposit date:2016-05-17
Release date:2016-06-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Novel (2,6-difluorophenyl)(2-(phenylamino)pyrimidin-4-yl)methanones with restricted conformation as potent non-nucleoside reverse transcriptase inhibitors against HIV-1.
Eur.J.Med.Chem., 122, 2016
6R4Q
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BU of 6r4q by Molmil
Crystal structure of the periplasmic nickel-binding protein NikA from Escherichia coli in complex with Ru(bpza)CO H2O Cl
Descriptor: ACETATE ION, CARBON MONOXIDE, CHLORIDE ION, ...
Authors:Cavazza, C, Menage, S.
Deposit date:2019-03-22
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the periplasmic nickel-binding protein NikA from Escherichia coli in complex with Ru(bpza)CO H2O Cl
To Be Published
6R4U
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BU of 6r4u by Molmil
Crystal structure of the Pri1 subunit of human primase bound to fludarabine triphosphate
Descriptor: 1,2-ETHANEDIOL, 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine, DNA primase small subunit, ...
Authors:Kilkenny, M.L, Pellegrini, L.
Deposit date:2019-03-24
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for Inhibition of Human Primase by Arabinofuranosyl Nucleoside Analogues Fludarabine and Vidarabine.
Acs Chem.Biol., 14, 2019
8ANT
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BU of 8ant by Molmil
Crystal structure of 6xhis-tagged phi3T_93 protein
Descriptor: YopN, Phi3T_93
Authors:Zamora-Caballero, S, Marina, A.
Deposit date:2022-08-05
Release date:2023-10-25
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Antagonistic interactions between phage and host factors control arbitrium lysis-lysogeny decision.
Nat Microbiol, 9, 2024
6I3D
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BU of 6i3d by Molmil
Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and Sinefungin
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Levy, C.W.
Deposit date:2018-11-05
Release date:2019-09-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase.
Acs Catalysis, 9, 2019
5KD2
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BU of 5kd2 by Molmil
BT_4244 metallopeptidase from Bacteroides thetaiotaomicron
Descriptor: 1,2-ETHANEDIOL, ZINC ION, metallopeptidase
Authors:Noach, I, Boraston, A.B.
Deposit date:2016-06-07
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Recognition of protein-linked glycans as a determinant of peptidase activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
7TVA
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BU of 7tva by Molmil
Stat5a Core in complex with AK2292
Descriptor: DI(HYDROXYETHYL)ETHER, MALONATE ION, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2022-02-04
Release date:2023-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.835 Å)
Cite:A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
8AHX
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BU of 8ahx by Molmil
Cryo-EM structure of the nitrogen-fixation associated NADH:ferredoxin oxidoreductase RNF from Azotobacter vinelandii
Descriptor: DODECYL-BETA-D-MALTOSIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Zhang, L, Einsle, O.
Deposit date:2022-07-24
Release date:2023-11-01
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Architecture of the RNF1 complex that drives biological nitrogen fixation.
Nat.Chem.Biol., 2024
5K6F
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BU of 5k6f by Molmil
Crystal structure of prefusion-stabilized RSV F single-chain 9-19 DS-Cav1 variant.
Descriptor: Fusion glycoprotein F0
Authors:Joyce, M.G, Zhang, B, Lai, Y.T, Mascola, J.R, Kwong, P.D.
Deposit date:2016-05-24
Release date:2016-08-10
Last modified:2016-09-21
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Iterative structure-based improvement of a fusion-glycoprotein vaccine against RSV.
Nat.Struct.Mol.Biol., 23, 2016
6I92
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BU of 6i92 by Molmil
R2-like ligand-binding oxidase G68F mutant with anaerobically reconstituted Mn/Fe cofactor
Descriptor: FE (II) ION, MANGANESE (II) ION, Ribonucleotide reductase small subunit
Authors:Griese, J.J, Hogbom, M.
Deposit date:2018-11-22
Release date:2019-10-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Chemical flexibility of heterobimetallic Mn/Fe cofactors: R2lox and R2c proteins.
J.Biol.Chem., 294, 2019
6WKL
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BU of 6wkl by Molmil
Fab Fragment of Anti-human LAG3 antibody (BAP050)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAP050 Fab Heavy Chain, BAP050 Fab Light Chain
Authors:Agnihotri, P, Mishra, A.K, Mariuzza, R.A.
Deposit date:2020-04-16
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Fab Fragment of Anti-human LAG3 antibody
To Be Published
6IBB
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BU of 6ibb by Molmil
Crystal structure of the rat isoform of the succinate receptor SUCNR1 (GPR91) in complex with a nanobody
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S},5~{R})-hexane-2,5-diol, CHOLESTEROL, ...
Authors:Haffke, M, Jaakola, V.-P.
Deposit date:2018-11-29
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis of species-selective antagonist binding to the succinate receptor.
Nature, 574, 2019
6R77
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BU of 6r77 by Molmil
Crystal structure of trans-3-Hydroxy-L-proline dehydratase in complex with substrate - closed conformation
Descriptor: 3-HYDROXYPROLINE, Proline racemase
Authors:Ferraris, D.M, Miggiano, R, Rizzi, M.
Deposit date:2019-03-28
Release date:2019-07-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Thermococcus litoralis trans-3-hydroxy-l-proline dehydratase in the free and substrate-complexed form.
Biochem.Biophys.Res.Commun., 516, 2019

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PDB entries from 2024-10-02

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