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1IH1
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Crystal Structure of the B-DNA Hexamer GGCGCC with Cobalt Hexamine Resolved to 2.0 Angstroms
Descriptor: 5'-D(*GP*GP*CP*GP*CP*C)-3', COBALT HEXAMMINE(III), MAGNESIUM ION
Authors:Vargason, J.M, Henderson, K, Ho, P.S.
Deposit date:2001-04-18
Release date:2001-06-18
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:A crystallographic map of the transition from B-DNA to A-DNA.
Proc.Natl.Acad.Sci.USA, 98, 2001
1SOJ
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CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B IN COMPLEX WITH IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, cGMP-inhibited 3',5'-cyclic phosphodiesterase B
Authors:Scapin, G, Patel, S.B, Chung, C, Varnerin, J.P, Edmondson, S.D, Mastracchio, A, Parmee, E.R, Becker, J.W, Singh, S.B, Van Der Ploeg, L.H, Tota, M.R.
Deposit date:2004-03-15
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity
Biochemistry, 43, 2004
3MLM
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BU of 3mlm by Molmil
Crystal structure of Bn IV in complex with myristic acid: A Lys49 myotoxic phospholipase A2 from Bothrops neuwiedi venom
Descriptor: BN-IV Lys-49 Phospholipase A2, MYRISTIC ACID, SULFATE ION
Authors:Delatorre, P, Rocha, B.A.M, Cavada, B.S, Toyama, M.H, Toyama, D, Gadelha, C.A.A.
Deposit date:2010-04-17
Release date:2011-05-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of Bn IV in complex with myristic acid: a Lys49 myotoxic phospholipase A2 from Bothrops neuwiedi venom.
Biochimie, 93, 2011
1SO2
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CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B In COMPLEX WITH A DIHYDROPYRIDAZINE INHIBITOR
Descriptor: 1-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOL, 6-(4-{[2-(3-IODOBENZYL)-3-OXOCYCLOHEX-1-EN-1-YL]AMINO}PHENYL)-5-METHYL-4,5-DIHYDROPYRIDAZIN-3(2H)-ONE, MAGNESIUM ION, ...
Authors:Scapin, G, Patel, S.B, Chung, C, Varnerin, J.P, Edmondson, S.D, Mastracchio, A, Parmee, E.R, Becker, J.W, Singh, S.B, Van Der Ploeg, L.H, Tota, M.R.
Deposit date:2004-03-12
Release date:2004-05-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of Human Phosphodiesterase 3B: Atomic Basis for Substrate and Inhibitor Specificity
Biochemistry, 43, 2004
1SHX
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Ephrin A5 ligand structure
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, Ephrin-A5
Authors:Himanen, J.P, Barton, W.A, Nikolov, D.B, Jeffrey, P.D.
Deposit date:2004-02-26
Release date:2005-04-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Three distinct molecular surfaces in ephrin-A5 are essential for a functional interaction with EphA3.
J.Biol.Chem., 280, 2005
6QKI
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Native structure of EgtB from Chloracidobacterium thermophilum, a type II sulfoxide synthase
Descriptor: FE (III) ION, Uncharacterized protein
Authors:Stampfli, A.R, Badri, B.N, Schirmer, T, Seebeck, F.P.
Deposit date:2019-01-29
Release date:2019-03-27
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:An Alternative Active Site Architecture for O2Activation in the Ergothioneine Biosynthetic EgtB from Chloracidobacterium thermophilum.
J.Am.Chem.Soc., 141, 2019
4W61
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BU of 4w61 by Molmil
Crystal structure of beta-ketoacyl thiolase B (BktB) from Ralstonia eutropha
Descriptor: Beta-ketothiolase BktB
Authors:Fage, C.D, Keatinge-Clay, A.T.
Deposit date:2014-08-19
Release date:2015-09-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Coenzyme A-free activity, crystal structure, and rational engineering of a promiscuous beta-ketoacyl thiolase fromRalstonia eutropha.
J. Mol. Catal., B Enzym., 121, 2015
4UZG
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Crystal structure of group B streptococcus pilus 2b backbone protein SAK_1440
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SURFACE PROTEIN SPB1
Authors:Malito, E, Cozzi, R, Bottomley, M.J.
Deposit date:2014-09-05
Release date:2015-05-13
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Structure and assembly of group B streptococcus pilus 2b backbone protein.
PLoS ONE, 10, 2015
7T3D
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BU of 7t3d by Molmil
CryoEM map of anchor 222-1C06 Fab and lateral patch 2B05 Fab binding H1 HA
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 222-1C06 mAb heavy chain, ...
Authors:Han, J, Ward, A.B.
Deposit date:2021-12-07
Release date:2022-01-12
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Broadly neutralizing antibodies target a haemagglutinin anchor epitope.
Nature, 602, 2022
4K4V
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Poliovirus polymerase elongation complex (r5+1_form)
Descriptor: DNA/RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*GP*A)-D(P*C)-3'), RNA (5'-R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*UP*CP*GP*UP*CP*GP*AP*AP*A)-3'), RNA-directed RNA polymerase 3D-POL, ...
Authors:Gong, P, Peersen, O.B.
Deposit date:2013-04-12
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts.
Plos One, 8, 2013
7SCO
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BU of 7sco by Molmil
Structure of H1 influenza hemagglutinin bound to Fab 310-39G10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 310-39G10 Fab, ...
Authors:Torrents de la Pena, A, Ward, A.B.
Deposit date:2021-09-28
Release date:2022-08-24
Last modified:2022-09-28
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Allelic polymorphism controls autoreactivity and vaccine elicitation of human broadly neutralizing antibodies against influenza virus.
Immunity, 55, 2022
4KIK
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Human IkB kinase beta
Descriptor: Inhibitor of nuclear factor kappa-B kinase subunit beta, K-252A
Authors:Liu, S, Mosyak, L.
Deposit date:2013-05-02
Release date:2013-06-26
Last modified:2013-08-28
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Crystal Structure of a Human I kappa B Kinase beta Asymmetric Dimer.
J.Biol.Chem., 288, 2013
3M8W
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BU of 3m8w by Molmil
Phosphopentomutase from Bacillus cereus
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, MANGANESE (II) ION, ...
Authors:Panosian, T.D, Nannemann, D.P, Watkins, G, Wadzinski, B, Bachmann, B.O, Iverson, T.M.
Deposit date:2010-03-19
Release date:2010-12-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bacillus cereus Phosphopentomutase Is an Alkaline Phosphatase Family Member That Exhibits an Altered Entry Point into the Catalytic Cycle.
J.Biol.Chem., 286, 2011
4K4X
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BU of 4k4x by Molmil
Coxsackievirus B3 polymerase elongation complex (r2_form), rna
Descriptor: GLYCEROL, MAGNESIUM ION, RNA (5'-R(*AP*AP*GP*UP*CP*UP*CP*CP*AP*GP*GP*UP*CP*UP*CP*UP*CP*GP*UP*CP*GP*AP*AP*A)-3'), ...
Authors:Gong, P, Peersen, O.B.
Deposit date:2013-04-12
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structures of coxsackievirus, rhinovirus, and poliovirus polymerase elongation complexes solved by engineering RNA mediated crystal contacts.
Plos One, 8, 2013
7S8I
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BU of 7s8i by Molmil
PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, MONOCLINIC CRYSTAL FORM
Descriptor: CHLORIDE ION, TRAV27_LC13 TCR ALPHA CHAIN, TRBV27_LC13 TCR BETA CHAIN
Authors:Patskovsky, Y, Nyovanie, S, Patskovska, L, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-17
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
7S8J
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BU of 7s8j by Molmil
PHOSPHOPEPTIDE-SPECIFIC LC13 TCR, ORTHORHOMBIC CRYSTAL FORM
Descriptor: CHLORIDE ION, TRAV27_LC13 TCR ALPHA CHAIN, TRBV27_LC13 TCR BETA CHAIN
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-17
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
6JUV
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BU of 6juv by Molmil
Crytsal structure of ScpB derived from Pyrococcus yayanosii
Descriptor: CHLORIDE ION, Segregation and condensation protein B
Authors:Jeon, J.-H, Lee, H, Oh, B.-H.
Deposit date:2019-04-15
Release date:2020-01-22
Method:X-RAY DIFFRACTION (3.043 Å)
Cite:Archaeal Smc-based condensin lacking kite subunits
Iucrj, 2020
5S4K
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BU of 5s4k by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 Nsp3 macrodomain in complex with FMOOA000509a
Descriptor: (2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol, Non-structural protein 3
Authors:Fearon, D, Schuller, M, Rangel, V.L, Douangamath, A, Rack, J.G.M, Zhu, K, Aimon, A, Brandao-Neto, J, Dias, A, Dunnet, L, Gorrie-Stone, T.J, Powell, A.J, Krojer, T, Skyner, R, Thompson, W, Ahel, I, von Delft, F.
Deposit date:2020-11-02
Release date:2021-01-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.076 Å)
Cite:Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.
Sci Adv, 7, 2021
3LZV
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BU of 3lzv by Molmil
Structure of Nelfinavir-resistant HIV-1 protease (D30N/N88D) in complex with Darunavir.
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, ACETATE ION, HIV-1 Protease, ...
Authors:Schiffer, C.A, Kolli, M.
Deposit date:2010-03-01
Release date:2010-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Effect of Clade-Specific Sequence Polymorphisms on HIV-1 Protease Activity and Inhibitor Resistance Pathways.
J.Virol., 84, 2010
5ZS0
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BU of 5zs0 by Molmil
Structure of glycoprotein B Domain IV of pseudorabies virus with 7B11 antibody
Descriptor: 7B11 heavy chain, 7B11 light chain, Envelope glycoprotein B,Envelope glycoprotein B
Authors:Hu, X.L, Yang, F.L.
Deposit date:2018-04-26
Release date:2019-05-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structural Basis for the Recognition of Pseudorabies Virus Glycoprotein B by a Complement-dependent Neutralizing Antibody
To Be Published
7SUC
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BU of 7suc by Molmil
XFEL Serial Crystallography Reveals the Room Temperature Structure of Methyl-Coenzyme M Reductase
Descriptor: 1,2-ETHANEDIOL, 1-THIOETHANESULFONIC ACID, ACETATE ION, ...
Authors:Ohmer, C.J, Dasgupta, M.
Deposit date:2021-11-16
Release date:2022-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:XFEL serial crystallography reveals the room temperature structure of methyl-coenzyme M reductase.
J.Inorg.Biochem., 230, 2022
5SPX
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL250003958539
Descriptor: (5M)-5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SQ2
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z2976440814 - (S) isomer
Descriptor: 7-fluoro-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-9H-pyrimido[4,5-b]indole, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SQ3
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z5028367848 - (R) isomer
Descriptor: Non-structural protein 3, [(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SPY
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PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL300019621104
Descriptor: 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(1H-tetrazol-5-yl)sulfanyl]ethan-1-one, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2022-06-09
Release date:2022-07-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023

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