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5Z7M
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BU of 5z7m by Molmil
SmChiA sliding-intermediate with chitohexaose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Chitinase A, ...
Authors:Nakamura, A, Iino, R.
Deposit date:2018-01-30
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Processive chitinase is Brownian monorail operated by fast catalysis after peeling rail from crystalline chitin.
Nat Commun, 9, 2018
3DN6
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BU of 3dn6 by Molmil
1,3,5-trifluoro-2,4,6-trichlorobenzene binding in the hydrophobic cavity of T4 lysozyme L99A mutant
Descriptor: 1,3,5-trichloro-2,4,6-trifluorobenzene, 2-HYDROXYETHYL DISULFIDE, Lysozyme, ...
Authors:Liu, L, Matthews, B.W.
Deposit date:2008-07-01
Release date:2008-11-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Halogenated benzenes bound within a non-polar cavity in T4 lysozyme provide examples of I...S and I...Se halogen-bonding.
J.Mol.Biol., 385, 2009
5WCP
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BU of 5wcp by Molmil
Phosphotriesterase variant S7
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase, ...
Authors:Miton, C.M, Campbell, E.C, Jackson, C.J, Tokuriki, N.
Deposit date:2017-07-01
Release date:2019-01-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Phosphotriesterase variant S7
To Be Published
3DPC
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BU of 3dpc by Molmil
Structure of E.coli Alkaline Phosphatase Mutant in Complex with a Phosphorylated Peptide
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, PHOSPHATE ION, ...
Authors:Wang, W.H, Jiang, T.
Deposit date:2008-07-07
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of a universal phosphorylated peptide-binding protein for simultaneous assay of kinases
Biosens.Bioelectron., 24, 2009
4N1C
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BU of 4n1c by Molmil
Structural evidence for antigen receptor evolution
Descriptor: Lysozyme C, immunoglobulin variable light chain domain
Authors:Langley, D.B, Rouet, R, Roome, B, Stock, D, Christ, D.
Deposit date:2013-10-03
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural reconstruction of protein ancestry.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6JZ8
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BU of 6jz8 by Molmil
b-glucuronidase from Ruminococcus gnavus in complex with D-glucaro 1,5-lactone
Descriptor: (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid, Beta-glucuronidase
Authors:Dashnyam, P, Lin, H.Y.
Deposit date:2019-04-30
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.583 Å)
Cite:Substituent Position of Iminocyclitols Determines the Potency and Selectivity for Gut Microbial Xenobiotic-Reactivating Enzymes.
J.Med.Chem., 63, 2020
4N1E
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BU of 4n1e by Molmil
Structural evidence for antigen receptor evolution
Descriptor: Lysozyme C, immunoglobulin variable light chain domain
Authors:Langley, D.B, Rouet, R, Stock, D, Christ, D.
Deposit date:2013-10-04
Release date:2014-10-29
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural reconstruction of protein ancestry.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4TN1
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BU of 4tn1 by Molmil
Translation initiation factor eIF5B (517-858) mutant D533R from C. thermophilum, bound to GTPgammaS
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, eIF5B
Authors:Kuhle, B, Ficner, R.
Deposit date:2014-06-02
Release date:2014-09-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A monovalent cation acts as structural and catalytic cofactor in translational GTPases.
Embo J., 33, 2014
7VUD
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BU of 7vud by Molmil
Carotenoid Cleavage Dioxygenase 1 from Osmanthus fragrans
Descriptor: Carotenoid cleavage dioxygenase 1, NICKEL (II) ION, OXTOXYNOL-10, ...
Authors:Sharma, D, Xue, B.
Deposit date:2021-11-02
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Carotenoid Cleavage Dioxygenase 1 from Osmanthus fragrans
To Be Published
3K6N
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BU of 3k6n by Molmil
Crystal structure of the S225E mutant Kir3.1 cytoplasmic pore domain
Descriptor: G protein-activated inward rectifier potassium channel 1, SODIUM ION
Authors:Xu, Y, Shin, H.G, Szep, S, Lu, Z.
Deposit date:2009-10-09
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Physical determinants of strong voltage sensitivity of K(+) channel block.
Nat.Struct.Mol.Biol., 16, 2009
3K3T
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BU of 3k3t by Molmil
E185A mutant of peptidoglycan hydrolase from Sphingomonas sp. A1
Descriptor: Peptidoglycan hydrolase FlgJ, SULFATE ION
Authors:Maruyama, Y, Ochiai, A, Itoh, T, Mikami, B, Hashimoto, W, Murata, K.
Deposit date:2009-10-04
Release date:2010-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mutational studies of the peptidoglycan hydrolase FlgJ of Sphingomonas sp. strain A1
J.Basic Microbiol., 50, 2010
7VWO
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BU of 7vwo by Molmil
TA complex from Mycobacterium tuberculosis
Descriptor: Antitoxin VapB43, Ribonuclease VapC43
Authors:Eun, H.-J, Lee, B.-J, Lee, J.-Y.
Deposit date:2021-11-11
Release date:2022-11-16
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:TA complex from Mycobacterium tuberculosis
To Be Published
4N42
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BU of 4n42 by Molmil
Crystal structure of allergen protein scam1 from Scadoxus multiflorus
Descriptor: PHOSPHATE ION, Xylanase and alpha-amylase inhibitor protein isoform III
Authors:Singh, A, Kumar, S, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2013-10-08
Release date:2013-10-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of allergen protein scam1 from Scadoxus multiflorus
To be published
4S2W
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BU of 4s2w by Molmil
Structure of E. coli RppH bound to sulfate ions
Descriptor: RNA pyrophosphohydrolase, SULFATE ION
Authors:Vasilyev, N, Serganov, A.
Deposit date:2015-01-23
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:Structures of RNA Complexes with the Escherichia coli RNA Pyrophosphohydrolase RppH Unveil the Basis for Specific 5'-End-dependent mRNA Decay.
J.Biol.Chem., 290, 2015
2JG6
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BU of 2jg6 by Molmil
CRYSTAL STRUCTURE OF A 3-METHYLADENINE DNA GLYCOSYLASE I FROM STAPHYLOCOCCUS AUREUS
Descriptor: DNA-3-METHYLADENINE GLYCOSIDASE, ZINC ION
Authors:Yan, X, Carter, L.G, Liu, H, Dorward, M, McMahon, S.A, Johnson, K.A, Oke, M, Coote, P.J, Naismith, J.H.
Deposit date:2007-02-08
Release date:2007-02-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Scottish Structural Proteomics Facility: Targets, Methods and Outputs.
J.Struct.Funct.Genomics, 11, 2010
6JVN
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BU of 6jvn by Molmil
Crystal structure of human MTH1 in complex with compound MI1020
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N4-methyl-6-morpholin-4-yl-pyrimidine-2,4-diamine
Authors:Peng, C, Li, Y.H, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
6CXU
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BU of 6cxu by Molmil
Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide
Descriptor: CYANIDE ION, Indoleamine 2,3-dioxygenase 1, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L.
Deposit date:2018-04-04
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
3K4A
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BU of 3k4a by Molmil
Crystal structure of selenomethionine substituted E. coli beta-glucuronidase
Descriptor: Beta-glucuronidase
Authors:Wallace, B.D, Orans, J, Redinbo, M.R.
Deposit date:2009-10-05
Release date:2010-11-17
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Alleviating cancer drug toxicity by inhibiting a bacterial enzyme.
Science, 330, 2010
6CFW
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BU of 6cfw by Molmil
cryoEM structure of a respiratory membrane-bound hydrogenase
Descriptor: IRON/SULFUR CLUSTER, MBH subunit, Mbh13 NADH dehydrogenase subunit, ...
Authors:Li, H.L, Yu, H.J.
Deposit date:2018-02-17
Release date:2018-05-23
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of an Ancient Respiratory System.
Cell, 173, 2018
6CY8
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BU of 6cy8 by Molmil
Crystal structure of FAD-dependent dehydrogenase
Descriptor: 4'-PHOSPHOPANTETHEINE, Alpha/beta hydrolase fold protein, Butyryl-CoA dehydrogenase, ...
Authors:Agarwal, V.
Deposit date:2018-04-05
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.729 Å)
Cite:Insights into Thiotemplated Pyrrole Biosynthesis Gained from the Crystal Structure of Flavin-Dependent Oxidase in Complex with Carrier Protein.
Biochemistry, 58, 2019
3DSK
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BU of 3dsk by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase variant (F137L) (At-AOS(F137L), Cytochrome P450 74A, CYP74A) Complexed with 12R,13S-Vernolic Acid at 1.55 A Resolution
Descriptor: (9Z)-11-[(2R,3S)-3-pentyloxiran-2-yl]undec-9-enoic acid, Cytochrome P450 74A, chloroplast, ...
Authors:Lee, D.S, Nioche, P, Raman, C.S.
Deposit date:2008-07-12
Release date:2008-08-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
6G6O
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BU of 6g6o by Molmil
Crystal structure of the computationally designed Ika8 protein: crystal packing No.1 in P63
Descriptor: GLYCEROL, Ika8
Authors:Noguchi, H, Addy, C, Simoncini, D, Van Meervelt, L, Schiex, T, Zhang, K.Y.J, Tame, J.R.H, Voet, A.R.D.
Deposit date:2018-04-01
Release date:2018-11-28
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Computational design of symmetrical eight-bladed beta-propeller proteins.
IUCrJ, 6, 2019
6G71
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BU of 6g71 by Molmil
Structure of CYP1232A24 from Arthrobacter sp.
Descriptor: 1,2-ETHANEDIOL, Cytochrome P450, FE (III) ION, ...
Authors:Dubiel, P, Sharma, M, Klenk, J, Hauer, B, Grogan, G.
Deposit date:2018-04-04
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification and characterization of cytochrome P450 1232A24 and 1232F1 from Arthrobacter sp. and their role in the metabolic pathway of papaverine.
J.Biochem., 166, 2019
2VRK
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BU of 2vrk by Molmil
Structure of a seleno-methionyl derivative of wild type arabinofuranosidase from Thermobacillus xylanilyticus
Descriptor: ALPHA-L-ARABINOFURANOSIDASE, PHOSPHATE ION
Authors:Paes, G, Skov, L.K, ODonohue, M.J, Remond, C, Kastrup, J.S, Gajhede, M, Mirza, O.
Deposit date:2008-04-09
Release date:2008-07-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of the Complex between a Branched Pentasaccharide and Thermobacillus Xylanilyticus Gh-51 Arabinofuranosidase Reveals Xylan-Binding Determinants and Induced Fit.
Biochemistry, 47, 2008
6K32
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BU of 6k32 by Molmil
RdRp complex
Descriptor: 2'-O-methyladenosine 5'-(dihydrogen phosphate), 7-METHYLGUANOSINE, DIPHOSPHATE, ...
Authors:Li, X.W.
Deposit date:2019-05-16
Release date:2019-11-20
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of RdRps Within a Transcribing dsRNA Virus Provides Insights Into the Mechanisms of RNA Synthesis.
J.Mol.Biol., 432, 2020

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PDB entries from 2024-08-21

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