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5ESG
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BU of 5esg by Molmil
Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) G73E mutant complexed with itraconazole
Descriptor: 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sagatova, A, Keniya, M.V, Wilson, R.K, Sabherwal, M, Tyndall, J.D.A, Monk, B.C.
Deposit date:2015-11-16
Release date:2016-11-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Impact of Homologous Resistance Mutations from Pathogenic Yeast on Saccharomyces cerevisiae Lanosterol 14 alpha-Demethylase.
Antimicrob.Agents Chemother., 62, 2018
8IKU
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BU of 8iku by Molmil
Aldo-keto reductase KmAKR - W297H
Descriptor: NADPH-dependent alpha-keto amide reductase
Authors:Xu, S.Y, Zhou, L, Xu, Y, Wang, Y.J, Zheng, Y.G.
Deposit date:2023-03-01
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Aldo-keto reductase KmAKR - W297H from Kluyveromyces marxianus
To Be Published
5VP5
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BU of 5vp5 by Molmil
Crystal structure of a 3-oxoacyl-acyl-carrier protein reductase FabG4 from Mycobacterium smegmatis bound to NAD
Descriptor: 3-oxoacyl-acyl-carrier protein reductase FabG4, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2017-05-04
Release date:2017-05-17
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and functional characterization of FabG4 from Mycolicibacterium smegmatis.
Acta Crystallogr.,Sect.F, 80, 2024
6TO4
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BU of 6to4 by Molmil
Imine Reductase from Myxococcus stipitatus in complex with NADP+
Descriptor: Coenzyme F420-dependent NADP oxidoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sharma, M, Nestl, B, Grogan, G.
Deposit date:2019-12-11
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Inverting the Stereoselectivity of an NADH-Dependent Imine-Reductase Variant
Chemcatchem, 2021
5VVR
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BU of 5vvr by Molmil
Ternary complex of RNA Pol II, transcription scaffold and Rad26
Descriptor: DNA (NTS), DNA (TS), DNA repair and recombination protein RAD26, ...
Authors:Lahiri, I, Leschziner, A.E.
Deposit date:2017-05-19
Release date:2017-11-22
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.8 Å)
Cite:Structural basis for the initiation of eukaryotic transcription-coupled DNA repair.
Nature, 551, 2017
6TOY
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BU of 6toy by Molmil
Crystal structure of Bacillus paralicheniformis wild-type alpha-amylase
Descriptor: ACETIC ACID, Amylase, CALCIUM ION, ...
Authors:Rozeboom, H.J, Janssen, D.B.
Deposit date:2019-12-12
Release date:2020-10-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Characterization of the starch surface binding site on Bacillus paralicheniformis alpha-amylase.
Int.J.Biol.Macromol., 165, 2020
5VPN
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BU of 5vpn by Molmil
E. coli Quinol fumarate reductase FrdA E245Q mutation
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Starbird, C.A, Maklashina, E, Sharma, P, Qualls-Histed, S, Cecchini, G, Iverson, T.M.
Deposit date:2017-05-05
Release date:2017-06-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.2232 Å)
Cite:Structural and biochemical analyses reveal insights into covalent flavinylation of the Escherichia coli Complex II homolog quinol:fumarate reductase.
J. Biol. Chem., 292, 2017
8IJG
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BU of 8ijg by Molmil
Crystal structure of alcohol dehydrogenase M5 from Burkholderia gladioli with NADP
Descriptor: NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative short-chain dehydrogenases/reductase family protein
Authors:Han, X, Mei, Z.L, Liu, W.D, Sun, Z.T, Ma, J.A.
Deposit date:2023-02-27
Release date:2024-03-06
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of alcohol dehydrogenase from Burkholderia gladioli with NADP
To Be Published
1VC4
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BU of 1vc4 by Molmil
Crystal Structure of Indole-3-Glycerol Phosphate Synthase (TrpC) from Thermus Thermophilus At 1.8 A Resolution
Descriptor: ACETIC ACID, GLYCEROL, Indole-3-Glycerol Phosphate Synthase, ...
Authors:Bagautdinov, B, Tahirov, T.H, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-03-04
Release date:2004-03-23
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of indole-3-glycerol phosphate synthase from Thermus thermophilus HB8: implications for thermal stability.
Acta Crystallogr.,Sect.D, 67, 2011
1L6M
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BU of 1l6m by Molmil
Neutrophil Gelatinase-associated Lipocalin is a Novel Bacteriostatic Agent that Interferes with Siderophore-mediated Iron Acquisition
Descriptor: 2,3-DIHYDROXY-BENZOIC ACID, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, FE (III) ION, ...
Authors:Goetz, D.H, Borregaard, N, Bluhm, M.E, Raymond, K.N, Strong, R.K.
Deposit date:2002-03-11
Release date:2003-03-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Neutrophil Lipocalin NGAL is a Bacteriostatic Agent that Interferes with Siderophore-mediated Iron Acquisition
Mol.Cell, 10, 2002
6TVG
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BU of 6tvg by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with AMPCP in the open state
Descriptor: 5'-nucleotidase, ecto (CD73), isoform CRA_a, ...
Authors:Scaletti, E, Strater, N.
Deposit date:2020-01-09
Release date:2020-02-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:2-Substituted alpha , beta-Methylene-ADP Derivatives: Potent Competitive Ecto-5'-nucleotidase (CD73) Inhibitors with Variable Binding Modes.
J.Med.Chem., 63, 2020
6TVY
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BU of 6tvy by Molmil
Structure of hen egg white lysozyme crystallized in the presence of Tb-Xo4 crystallophore in the XtalController device
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION, ...
Authors:de Wijn, R, Rollet, K, Coudray, L, McEwen, A.G, Lorber, B, Sauter, C.
Deposit date:2020-01-10
Release date:2020-12-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Monitoring the Production of High Diffraction-Quality Crystals of Two Enzymes in Real Time Using In Situ Dynamic Light Scattering
Crystals, 2020
7NFC
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BU of 7nfc by Molmil
Cryo-EM structure of NHEJ super-complex (dimer)
Descriptor: DNA (27-MER), DNA (28-MER), DNA ligase 4, ...
Authors:Chaplin, A.K, Hardwick, S.W, Kefala Stavridi, A, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2021-02-05
Release date:2021-08-18
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.14 Å)
Cite:Cryo-EM of NHEJ supercomplexes provides insights into DNA repair.
Mol.Cell, 81, 2021
6I03
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BU of 6i03 by Molmil
D10N variant of beta-phosphoglucomutase from Lactococcus lactis complexed with tetrafluoroaluminate and beta-G6P to 1.02 A
Descriptor: 6-O-phosphono-beta-D-glucopyranose, Beta-phosphoglucomutase, MAGNESIUM ION, ...
Authors:Robertson, A.J, Waltho, J.P.
Deposit date:2018-10-24
Release date:2019-11-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Proton transfer modulates the electrostatic environment in a general acid-base catalyzed phosphoryl transfer reaction
To Be Published
1L8C
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BU of 1l8c by Molmil
STRUCTURAL BASIS FOR HIF-1ALPHA/CBP RECOGNITION IN THE CELLULAR HYPOXIC RESPONSE
Descriptor: CREB-binding protein, Hypoxia-inducible factor 1 alpha, ZINC ION
Authors:Dames, S.A, Martinez-Yamout, M, De Guzman, R.N, Dyson, H.J, Wright, P.E.
Deposit date:2002-03-19
Release date:2002-04-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural basis for Hif-1 alpha /CBP recognition in the cellular hypoxic response.
Proc.Natl.Acad.Sci.USA, 99, 2002
8IL4
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BU of 8il4 by Molmil
Crystal structure of alcohol oxidase ParAOX(M59V/Q60P/R61N/F101S/N602H)(Polyporus arcularius)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GMC oxidoreductase
Authors:Wu, B, Wang, Y.
Deposit date:2023-03-01
Release date:2024-03-06
Method:X-RAY DIFFRACTION (3.35500073 Å)
Cite:Crystal structure of alcohol oxidase ParAOX(M59V/Q60P/R61N/F101S/N602H)(Polyporus arcularius)
To Be Published
1LEK
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BU of 1lek by Molmil
Crystal Structure of H-2Kbm3 bound to dEV8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, ...
Authors:Luz, J.G, Huang, M, Garcia, K.C, Rudolph, M.G, Apostolopoulos, V, Teyton, L, Wilson, I.A.
Deposit date:2002-04-09
Release date:2002-06-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural comparison of allogeneic and syngeneic T cell receptor-peptide-major histocompatibility complex complexes: a buried alloreactive mutation subtly alters peptide presentation substantially increasing V(beta) Interactions.
J.Exp.Med., 195, 2002
7NFE
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BU of 7nfe by Molmil
Cryo-EM structure of NHEJ super-complex (monomer)
Descriptor: DNA (5'-D(P*AP*AP*TP*AP*AP*AP*CP*TP*AP*AP*AP*AP*AP*CP*TP*AP*TP*TP*AP*TP*TP*AP*TP*G)-3'), DNA (5'-D(P*TP*AP*AP*TP*AP*AP*TP*AP*GP*TP*TP*TP*TP*TP*AP*GP*TP*TP*TP*AP*TP*TP*AP*G)-3'), DNA ligase 4, ...
Authors:Chaplin, A.K, Hardwick, S.W, Kefala Stavridi, A, Chirgadze, D.Y, Blundell, T.L.
Deposit date:2021-02-06
Release date:2021-08-18
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.29 Å)
Cite:Cryo-EM of NHEJ supercomplexes provides insights into DNA repair.
Mol.Cell, 81, 2021
2WDR
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BU of 2wdr by Molmil
E. coli succinate:quinone oxidoreductase (SQR) with pentachlorophenol bound
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G.
Deposit date:2009-03-25
Release date:2009-08-25
Last modified:2015-02-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Escherichia Coli Succinate:Quinone Oxidoreductase with an Occupied and Empty Quinone- Binding Site.
J.Biol.Chem., 284, 2009
2WDV
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BU of 2wdv by Molmil
E. coli succinate:quinone oxidoreductase (SQR) with an empty quinone- binding pocket
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Ruprecht, J, Yankovskaya, V, Maklashina, E, Iwata, S, Cecchini, G.
Deposit date:2009-03-26
Release date:2009-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of Escherichia Coli Succinate:Quinone Oxidoreductase with an Occupied and Empty Quinone- Binding Site.
J.Biol.Chem., 284, 2009
2WF7
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BU of 2wf7 by Molmil
Structure of Beta-Phosphoglucomutase inhibited with Glucose-6- phosphonate and Aluminium tetrafluoride
Descriptor: 6,7-dideoxy-7-phosphono-beta-D-gluco-heptopyranose, BETA-PHOSPHOGLUCOMUTASE, MAGNESIUM ION, ...
Authors:Bowler, M.W, Baxter, N.J, Webster, C.E, Pollard, S, Alizadeh, T, Hounslow, A.M, Cliff, M.J, Bermel, W, Williams, N.H, Hollfelder, F, Blackburn, G.M, Waltho, J.P.
Deposit date:2009-04-03
Release date:2010-05-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Alpha-Fluorophosphonates Reveal How a Phosphomutase Conserves Transition State Conformation Over Hexose Recognition in its Two-Step Reaction.
Proc.Natl.Acad.Sci.USA, 111, 2014
6U0E
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BU of 6u0e by Molmil
Neutron crystal structure of T4L M6AE
Descriptor: Endolysin
Authors:Cuneo, M.J, Myles, D.A, Li, L.
Deposit date:2019-08-14
Release date:2020-09-02
Last modified:2023-10-25
Method:NEUTRON DIFFRACTION (2.106 Å), X-RAY DIFFRACTION
Cite:Solvent entry into cavities of T4 lysozyme
To be published
3O55
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BU of 3o55 by Molmil
Crystal structure of human FAD-linked augmenter of liver regeneration (ALR)
Descriptor: Augmenter of liver regeneration, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Banci, L, Bertini, I, Calderone, V, Cefaro, C, Ciofi-Baffoni, S, Gallo, A, Kallergi, E, Lionaki, E, Pozidis, C, Tokatlidis, K.
Deposit date:2010-07-28
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular recognition and substrate mimicry drive the electron-transfer process between MIA40 and ALR.
Proc.Natl.Acad.Sci.USA, 108, 2011
5I98
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BU of 5i98 by Molmil
Structure of apo FKBP12(P104G) from C. albicans
Descriptor: FK506-binding protein 1
Authors:Schumacher, M.A.
Deposit date:2016-02-19
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
8I0J
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BU of 8i0j by Molmil
JB13GH39P28 mutant-D41G
Descriptor: CHLORIDE ION, Glycoside hydrolase family 39 beta-xylosidase
Authors:Zhou, J.P, Cao, L.J, Lin, M.Y, Zhang, R, Huang, Z.X.
Deposit date:2023-01-11
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:beta-Xylosidase JB13GH39P28 (D41G) showing salt/ethanol/trypsin tolerance and transformation of notoginsenosides
To Be Published

226414

數據於2024-10-23公開中

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