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4UOW
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BU of 4uow by Molmil
Crystal structure of the titin M10-Obscurin Ig domain 1 complex
Descriptor: CHLORIDE ION, Obscurin, SODIUM ION, ...
Authors:Pernigo, S, Fukuzawa, A, Gautel, M, Steiner, R.A.
Deposit date:2014-06-10
Release date:2014-12-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The Crystal Structure of the Human Titin:Obscurin Complex Reveals a Conserved Yet Specific Muscle M-Band Zipper Module.
J.Mol.Biol., 427, 2015
7S6O
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BU of 7s6o by Molmil
The crystal structure of Lys48-linked di-ubiquitin
Descriptor: ACETATE ION, Ubiquitin
Authors:Osipiuk, J, Tesar, C, Lanham, B.T, Wydorski, P, Fushman, D, Joachimiak, L, Joachimiak, A.
Deposit date:2021-09-14
Release date:2021-09-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
6R4O
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BU of 6r4o by Molmil
Structure of a truncated adenylyl cyclase bound to MANT-GTP, forskolin and an activated stimulatory Galphas protein
Descriptor: 3'-O-(N-METHYLANTHRANILOYL)-GUANOSINE-5'-TRIPHOSPHATE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, Adenylate cyclase 9, ...
Authors:Qi, C, Sorrentino, S, Medalia, O, Korkhov, V.M.
Deposit date:2019-03-22
Release date:2019-05-08
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:The structure of a membrane adenylyl cyclase bound to an activated stimulatory G protein.
Science, 364, 2019
6R9V
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BU of 6r9v by Molmil
Crystal structure of Pediococcus acidilactici lactate oxidase A94G mutant
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, Putative L-lactate oxidase, ...
Authors:Ashok, Y, Maksimainen, M.M, Lehtio, L.
Deposit date:2019-04-04
Release date:2020-02-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:FMN-dependent oligomerization of putative lactate oxidase from Pediococcus acidilactici.
Plos One, 15, 2020
5HHM
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BU of 5hhm by Molmil
Crystal Structure of the JM22 TCR in complex with HLA-A*0201 in complex with M1-F5L
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ...
Authors:Gras, S, Josephs, T.M, Rossjohn, J.
Deposit date:2016-01-11
Release date:2016-03-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular basis for universal HLA-A*0201-restricted CD8+ T-cell immunity against influenza viruses.
Proc.Natl.Acad.Sci.USA, 113, 2016
7S41
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BU of 7s41 by Molmil
Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-acetamido-3,6-dideoxy-D-glucose
Descriptor: 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ...
Authors:Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
Deposit date:2021-09-08
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
7S5M
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BU of 7s5m by Molmil
Crystal Structure of a 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase from Mycobacterium smegmatis
Descriptor: 8-amino-7-oxononanoate synthase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2021-09-10
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of a 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase from Mycobacterium smegmatis
to be published
6R56
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BU of 6r56 by Molmil
Crystal structure of PPEP-1(K101E/E184K)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ZINC ION
Authors:Pichlo, C, Baumann, U.
Deposit date:2019-03-24
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
7S6P
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BU of 7s6p by Molmil
The crystal structure of human ISG15
Descriptor: Ubiquitin-like protein ISG15
Authors:Osipiuk, J, Tesar, C, Jedrzejczak, R, Endres, M, Wydorski, P, Joachimiak, L, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-09-14
Release date:2021-09-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Dual domain recognition determines SARS-CoV-2 PLpro selectivity for human ISG15 and K48-linked di-ubiquitin.
Nat Commun, 14, 2023
4PBC
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BU of 4pbc by Molmil
X-ray crystal structure of a putative D-amino acid aminotransferase from Burkholderia cenocepacia
Descriptor: D-amino acid aminotransferase, PHOSPHATE ION
Authors:Fairman, J.W, Abendroth, J, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-04-12
Release date:2014-07-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystal structure of a putative D-amino acid aminotransferase from Burkholderia cenocepacia
To Be Published
7S42
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BU of 7s42 by Molmil
Crystal structure of an N-acetyltransferase from Helicobacter pullorum in the presence of Coenzyme A and dTDP-3-acetamido-3,6-dideoxy-D-galactose
Descriptor: 1,2-ETHANEDIOL, COENZYME A, N-acetyltransferase, ...
Authors:Griffiths, W.A, Spencer, K.D, Thoden, J.B, Holden, H.M.
Deposit date:2021-09-08
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Biochemical investigation of an N-acetyltransferase from Helicobacter pullorum.
Protein Sci., 30, 2021
7SDR
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BU of 7sdr by Molmil
Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor
Descriptor: 1,2-ETHANEDIOL, 4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol, CHLORIDE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-09-29
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Papain-Like Protease of SARS CoV-2 in Complex with Jun9-72-2 Inhibitor
To be Published
6R5S
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BU of 6r5s by Molmil
Structure of the SBP FpvC from pseudomonas aeruginosa in complex with Fe(II)
Descriptor: 1,2-ETHANEDIOL, Adhesion protein, FE (II) ION
Authors:Morera, S, Vigouroux, A.
Deposit date:2019-03-25
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A unique ferrous iron binding mode is associated with large conformational changes for the transport protein FpvC of Pseudomonas aeruginosa.
Febs J., 287, 2020
7CY4
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BU of 7cy4 by Molmil
Crystal Structure of CMD1 in apo form
Descriptor: CITRIC ACID, FE (III) ION, Maltodextrin-binding protein,5-methylcytosine-modifying enzyme 1
Authors:Li, W, Zhang, T, Sun, M, Ding, J.
Deposit date:2020-09-03
Release date:2020-12-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular mechanism for vitamin C-derived C 5 -glyceryl-methylcytosine DNA modification catalyzed by algal TET homologue CMD1.
Nat Commun, 12, 2021
7D1M
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BU of 7d1m by Molmil
CRYSTAL STRUCTURE OF THE SARS-CoV-2 MAIN PROTEASE COMPLEXED WITH GC376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Fu, L.F, Gilski, M, Shabalin, I, Gao, G.F, Qi, J.X.
Deposit date:2020-09-14
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Both Boceprevir and GC376 efficaciously inhibit SARS-CoV-2 by targeting its main protease.
Nat Commun, 11, 2020
4UE5
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BU of 4ue5 by Molmil
Structural basis for targeting and elongation arrest of Bacillus signal recognition particle
Descriptor: 7S RNA, SIGNAL RECOGNITION PARTICLE 54 KDA PROTEIN, SIGNAL RECOGNITION PARTICLE 9 KDA PROTEIN, ...
Authors:Beckert, B, Kedrov, A, Sohmen, D, Kempf, G, Wild, K, Sinning, I, Stahlberg, H, Wilson, D.N, Beckmann, R.
Deposit date:2014-12-15
Release date:2015-09-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Translational Arrest by a Prokaryotic Signal Recognition Particle is Mediated by RNA Interactions.
Nat.Struct.Mol.Biol., 22, 2015
4UB6
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BU of 4ub6 by Molmil
Native structure of photosystem II (dataset-1) by a femtosecond X-ray laser
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Suga, M, Akita, F, Hirata, K, Ueno, G, Murakami, H, Nakajima, Y, Shimizu, T, Yamashita, K, Yamamoto, M, Ago, H, Shen, J.R.
Deposit date:2014-08-12
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Native structure of photosystem II at 1.95 angstrom resolution viewed by femtosecond X-ray pulses.
Nature, 517, 2015
6RCP
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BU of 6rcp by Molmil
Crystal structure of the OmpK36 clinical isolate ST258 from Klebsiella pneumonia
Descriptor: OmpK36
Authors:Beis, K, Romano, M, Kwong, J.
Deposit date:2019-04-11
Release date:2019-09-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.231 Å)
Cite:OmpK36-mediated Carbapenem resistance attenuates ST258 Klebsiella pneumoniae in vivo.
Nat Commun, 10, 2019
5HK0
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BU of 5hk0 by Molmil
Crystal structure of M. tuberculosis MazF-mt3 (Rv1991c) in complex with RNA
Descriptor: Endoribonuclease MazF6, RNA (5'-R(*AP*GP*UP*C)-D(P*U)-R(P*CP*CP*UP*UP*UP*C)-3')
Authors:Yen, T.J, Brennan, R.G.
Deposit date:2016-01-13
Release date:2017-01-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of M. tuberculosis MazF-mt3 (Rv1991c) in complex with RNA
To Be Published
6R6K
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BU of 6r6k by Molmil
Structure of a FpvC mutant from pseudomonas aeruginosa
Descriptor: 1,2-ETHANEDIOL, ABC transporter substrate-binding protein, DI(HYDROXYETHYL)ETHER, ...
Authors:Morera, S, Vigouroux, A.
Deposit date:2019-03-27
Release date:2019-07-31
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A unique ferrous iron binding mode is associated with large conformational changes for the transport protein FpvC of Pseudomonas aeruginosa.
Febs J., 287, 2020
4PD6
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BU of 4pd6 by Molmil
Crystal structure of vcCNT-7C8C bound to uridine
Descriptor: DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, SODIUM ION, ...
Authors:Johnson, Z.L, Lee, S.-Y.
Deposit date:2014-04-17
Release date:2014-08-13
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PNS
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BU of 4pns by Molmil
Crystal Structure of human Tankyrase 2 in complex with INH2BP.
Descriptor: 6-amino-5-iodo-2H-chromen-2-one, GLYCEROL, Tankyrase-2, ...
Authors:Qiu, W, Lam, R, Romanov, V, Gordon, R, Gebremeskel, S, Vodsedalek, J, Thompson, C, Beletskaya, I, Battaile, K.P, Pai, E.F, Chirgadze, N.Y.
Deposit date:2014-05-25
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Insights into the binding of PARP inhibitors to the catalytic domain of human tankyrase-2.
Acta Crystallogr.,Sect.D, 70, 2014
4UGK
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BU of 4ugk by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-(2-(5-(2-(Dimethylamino)ethyl)pyridin-3-yl)ethyl)-4-methylpyridin-2- amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[2-[5-[2-(dimethylamino)ethyl]pyridin-3-yl]ethyl]-4-methyl-pyridin-2-amine, CHLORIDE ION, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
5HG5
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BU of 5hg5 by Molmil
EGFR (L858R, T790M, V948R) in complex with N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Descriptor: Epidermal growth factor receptor, GLYCEROL, N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide, ...
Authors:Gajiwala, K.S.
Deposit date:2016-01-08
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
7SB8
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BU of 7sb8 by Molmil
d(GA(CGA)5) parallel-stranded homo-duplex
Descriptor: COBALT HEXAMMINE(III), GA(CGA)5, SODIUM ION, ...
Authors:Luteran, E.M, Paukstelis, P.J.
Deposit date:2021-09-24
Release date:2021-10-06
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.317 Å)
Cite:The parallel-stranded d(CGA) duplex is a highly predictable structural motif with two conformationally distinct strands.
Acta Crystallogr D Struct Biol, 78, 2022

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數據於2024-07-17公開中

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