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3GNF
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BU of 3gnf by Molmil
P1 Crystal structure of the N-terminal R1-R7 of murine MVP
Descriptor: Major vault protein
Authors:Querol-Audi, J, Casanas, A, Uson, I, Luque, D, Caston, J.R, Fita, I, Verdaguer, N.
Deposit date:2009-03-17
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The mechanism of vault opening from the high resolution structure of the N-terminal repeats of MVP
Embo J., 28, 2009
2L29
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BU of 2l29 by Molmil
Complex structure of E4 mutant human IGF2R domain 11 bound to IGF-II
Descriptor: Insulin-like growth factor 2 receptor variant, Insulin-like growth factor II
Authors:Williams, C, Hoppe, H, Rezgui, D, Strickland, M, Frago, S, Ellis, R.Z, Wattana-Amorn, P, Prince, S.N, Zaccheo, O.J, Forbes, B, Jones, E.Y, Crump, M.P, Hassan, A.B.
Deposit date:2010-08-13
Release date:2012-02-15
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:An exon splice enhancer primes IGF2:IGF2R binding site structure and function evolution.
Science, 338, 2012
6RM2
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BU of 6rm2 by Molmil
Deoxyguanylosuccinate synthase (DgsS) structure with ATP, IMP, Magnesium
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Adenylosuccinate synthetase, INOSINIC ACID, ...
Authors:Sleiman, D, Loc'h, J, Haouz, A, Kaminski, P.A.
Deposit date:2019-05-04
Release date:2020-06-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Deoxyguanylosuccinate synthase (DgsS) quaternary structure with ATP, IMP, Magnesium at 2.5 Angstrom resolution
To Be Published
1DKO
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BU of 1dko by Molmil
CRYSTAL STRUCTURE OF TUNGSTATE COMPLEX OF ESCHERICHIA COLI PHYTASE AT PH 6.6 WITH TUNGSTATE BOUND AT THE ACTIVE SITE AND WITH HG2+ CATION ACTING AS AN INTERMOLECULAR BRIDGE
Descriptor: MERCURY (II) ION, PHYTASE, TUNGSTATE(VI)ION
Authors:Lim, D, Golovan, S, Forsberg, C.W, Jia, Z.
Deposit date:1999-12-08
Release date:2000-08-03
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Crystal structures of Escherichia coli phytase and its complex with phytate.
Nat.Struct.Biol., 7, 2000
7Z5D
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BU of 7z5d by Molmil
VP2-only capsid of wt MVM prototype strain p
Descriptor: Capsid protein VP1
Authors:Luque, D, Ortega-Esteban, A, Valbuena, A, Vilas, J.L, Rodriguez-Huete, A, Mateu, M.G, Caston, J.R.
Deposit date:2022-03-09
Release date:2023-03-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Equilibrium Dynamics of a Biomolecular Complex Analyzed at Single-amino Acid Resolution by Cryo-electron Microscopy.
J.Mol.Biol., 435, 2023
6RMK
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BU of 6rmk by Molmil
Bacteriorhodopsin, dark state, cell 2, refined using the same protocol as sub-ps time delays
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Nass Kovacs, G, Colletier, J.-P, Gruenbein, M.L, Stensitzki, T, Batyuk, A, Carbajo, S, Doak, R.B, Ehrenberg, D, Foucar, L, Gasper, R, Gorel, A, Hilpert, M, Kloos, M, Koglin, J, Reinstein, J, Roome, C.M, Schlesinger, R, Seaberg, M, Shoeman, R.L, Stricker, M, Boutet, S, Haacke, S, Heberle, J, Domratcheva, T, Barends, T.R.M, Schlichting, I.
Deposit date:2019-05-07
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional view of ultrafast dynamics in photoexcited bacteriorhodopsin.
Nat Commun, 10, 2019
7Z6G
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BU of 7z6g by Molmil
X-ray structure of the adduct obtained upon reaction of [Rh2(OCOCH3)(OCOCF3)3] with RNase A (2)
Descriptor: (mi2-acetato-O, O')-hexaaquo-dirhodium (II), Rhodium, ...
Authors:Loreto, D, Merlino, A.
Deposit date:2022-03-11
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins
Dalton Trans, 51, 2022
3DMU
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BU of 3dmu by Molmil
Crystal structure of Staphylococcal nuclease variant PHS T62K at cryogenic temperature
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, Thermonuclease
Authors:Khangulov, V.S, Schlessman, J.L, Garcia-Moreno, E.B, Benning, M, Isom, D.
Deposit date:2008-07-01
Release date:2008-11-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Staphylococcal nuclease variant PHS T62K at cryogenic temperature
To be Published
2LIU
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BU of 2liu by Molmil
NMR structure of holo-ACPI domain from CurA module from Lyngbya majuscula
Descriptor: CurA
Authors:Busche, A.E, Gottstein, D, Hein, C, Ripin, N, Pader, I, Tufar, P, Eisman, E.B, Gu, L, Walsh, C.T, Loehr, F, Sherman, D.H, Guntert, P, Dotsch, V.
Deposit date:2011-09-01
Release date:2011-12-14
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Characterization of Molecular Interactions between ACP and Halogenase Domains in the Curacin A Polyketide Synthase.
Acs Chem.Biol., 7, 2012
3GUQ
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BU of 3guq by Molmil
Crystal structure of novel carcinogenic factor of H. pylori
Descriptor: Putative uncharacterized protein
Authors:Tsurumura, T, Tsuge, H, Utsunomiya, H, Kise, D, Kuzuhara, T, Fujiki, H, Suganuma, M.
Deposit date:2009-03-30
Release date:2009-09-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Structural basis for the Helicobacter pylori-carcinogenic TNF-alpha-inducing protein.
Biochem.Biophys.Res.Commun., 388, 2009
7Z6J
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BU of 7z6j by Molmil
X-ray structure of the adduct obtained upon reaction of [Rh2(OCOCH3)(OCOCF3)3] with HEWL
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme, Rhodium, ...
Authors:Loreto, D, Merlino, A.
Deposit date:2022-03-11
Release date:2023-03-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Reactivity of a fluorine-containing dirhodium tetracarboxylate compound with proteins
Dalton Trans, 51, 2022
2L02
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BU of 2l02 by Molmil
Solution NMR Structure of protein BT2368 from Bacteroides thetaiotaomicron, Northeast Structural Genomics Consortium Target BtR375
Descriptor: Uncharacterized protein
Authors:Eletsky, A, Lee, H, Wang, D, Ciccosanti, C, Hamilton, K, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-06-29
Release date:2010-08-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR Structure of protein BT2368 from Bacteroides thetaiotaomicron
To be Published
3GRC
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BU of 3grc by Molmil
Crystal structure of a sensor protein from Polaromonas sp. JS666
Descriptor: Sensor protein, Kinase
Authors:Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-03-25
Release date:2009-04-14
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of a sensor protein from Polaromonas sp. JS666
To be Published
7Z3U
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BU of 7z3u by Molmil
Crystal structure of SARS-CoV-2 Main Protease after incubation with Sulfo-Calpeptin
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION, Calpetin, ...
Authors:Reinke, P.Y.A, Falke, S, Lieske, J, Ewert, W, Loboda, J, Rahmani Mashhour, A, Hauser, M, Karnicar, K, Usenik, A, Lindic, N, Lach, M, Boehler, H, Beck, T, Cox, R, Chapman, H.N, Hinrichs, W, Turk, D, Guenther, S, Meents, A.
Deposit date:2022-03-02
Release date:2023-03-22
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Calpeptin is a potent cathepsin inhibitor and drug candidate for SARS-CoV-2 infections.
Commun Biol, 6, 2023
3GSI
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BU of 3gsi by Molmil
Crystal structure of D552A dimethylglycine oxidase mutant of Arthrobacter globiformis in complex with tetrahydrofolate
Descriptor: (6S)-5,6,7,8-TETRAHYDROFOLATE, FLAVIN-ADENINE DINUCLEOTIDE, MAGNESIUM ION, ...
Authors:Tralau, T, Lafite, P, Levy, C, Combe, J.P, Scrutton, N.S, Leys, D.
Deposit date:2009-03-27
Release date:2009-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:An internal reaction chamber in dimethylglycine oxidase provides efficient protection from exposure to toxic formaldehyde.
J.Biol.Chem., 284, 2009
3GWN
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BU of 3gwn by Molmil
Crystal structure of the FAD binding domain from mimivirus sulfhydryl oxidase R596
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, Probable FAD-linked sulfhydryl oxidase R596, ...
Authors:Hakim, M, Fass, D.
Deposit date:2009-04-01
Release date:2009-07-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Dimer interface migration in a viral sulfhydryl oxidase
J.Mol.Biol., 391, 2009
2LNB
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BU of 2lnb by Molmil
Solution NMR structure of N-terminal domain (6-74) of human ZBP1 protein, Northeast Structural Genomics Consortium Target HR8174A.
Descriptor: Z-DNA-binding protein 1
Authors:Yang, Y, Ramelot, T.A, Hamilton, K, Kohan, E, Wang, D, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2011-12-20
Release date:2012-01-18
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution NMR structure of N-terminal domain (6-74) of human ZBP1 protein, Northeast Structural Genomics Consortium Target HR8174A
To be Published
3DHN
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BU of 3dhn by Molmil
Crystal structure of the putative epimerase Q89Z24_BACTN from Bacteroides thetaiotaomicron. Northeast Structural Genomics Consortium target BtR310.
Descriptor: NAD-dependent epimerase/dehydratase
Authors:Vorobiev, S.M, Su, M, Seetharaman, J, Wang, D, Ciccosanti, C, Foote, L.E, Janjua, H, Xiao, R, Acton, T, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-06-18
Release date:2008-08-12
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the putative epimerase Q89Z24_BACTN from Bacteroides thetaiotaomicron.
To be Published
6RTT
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BU of 6rtt by Molmil
Piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus complexed with picolinic acid
Descriptor: GLYCEROL, PYRIDINE-2-CARBOXYLIC ACID, SULFATE ION, ...
Authors:Hasse, D, Huelsemann, J, Carlsson, G, Andersson, I.
Deposit date:2019-05-26
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and mechanism of piperideine-6-carboxylate dehydrogenase from Streptomyces clavuligerus.
Acta Crystallogr D Struct Biol, 75, 2019
3GTM
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BU of 3gtm by Molmil
Co-complex of Backtracked RNA polymerase II with TFIIS
Descriptor: DNA (28-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Wang, D, Bushnell, D.A, Huang, X, Westover, K.D, Levitt, M, Kornberg, R.D.
Deposit date:2009-03-27
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Structural basis of transcription: backtracked RNA polymerase II at 3.4 angstrom resolution.
Science, 324, 2009
6RUA
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BU of 6rua by Molmil
Structure of recombinant human butyrylcholinesterase in complex with a coumarin-based fluorescent probe linked to sulfonamide type inhibitor.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Coquelle, N, Knez, D, Brus, B, Gobec, S, Colletier, J.P.
Deposit date:2019-05-27
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Development of potent reversible selective inhibitors of butyrylcholinesterase as fluorescent probes.
J Enzyme Inhib Med Chem, 35, 2020
7Z7W
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BU of 7z7w by Molmil
REP-related Chom18 variant with double GC base pairing
Descriptor: Chom18-GC DNA, STRONTIUM ION
Authors:Svoboda, J, Schneider, B, Berdar, D, Kolenko, P.
Deposit date:2022-03-16
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Conformation-based refinement of 18-mer DNA structures.
Acta Crystallogr D Struct Biol, 79, 2023
6RJR
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BU of 6rjr by Molmil
Crystal structure of a Fungal Catalase at 1.9 Angstrom
Descriptor: CHLORIDE ION, Catalase, GLYCEROL, ...
Authors:Gomez, S, Navas-Yuste, S, Payne, A.M, Rivera, W, Lopez-Estepa, M, Brangbour, C, Fulla, D, Juanhuix, J, Fernandez, F.J, Vega, M.C.
Deposit date:2019-04-29
Release date:2020-03-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.895 Å)
Cite:Peroxisomal catalases from the yeasts Pichia pastoris and Kluyveromyces lactis as models for oxidative damage in higher eukaryotes.
Free Radic. Biol. Med., 141, 2019
2LRI
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BU of 2lri by Molmil
NMR structure of the second PHD finger of AIRE (AIRE-PHD2)
Descriptor: Autoimmune regulator, ZINC ION
Authors:Gaetani, M, Chignola, F, Mollica, L, Quilici, G, Mannella, V, Spiliotopoulos, D, Musco, G.
Deposit date:2012-04-03
Release date:2012-10-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:AIRE-PHD fingers are structural hubs to maintain the integrity of chromatin-associated interactome.
Nucleic Acids Res., 40, 2012
3GX9
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BU of 3gx9 by Molmil
Structure of morphinone reductase N189A mutant in complex with tetrahydroNAD
Descriptor: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FLAVIN MONONUCLEOTIDE, Morphinone reductase
Authors:Lafite, P, Scrutton, N.S, Leys, D.
Deposit date:2009-04-02
Release date:2009-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Parallel Pathways and Free-Energy Landscapes for Enzymatic Hydride Transfer Probed by Hydrostatic Pressure
Chembiochem, 10, 2009

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