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3FPW
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BU of 3fpw by Molmil
Crystal Structure of HbpS with bound iron
Descriptor: Extracellular haem-binding protein, FE (III) ION, PHOSPHATE ION
Authors:Ortiz de Orue Lucana, D, Bogel, G, Zou, P, Groves, M.R.
Deposit date:2009-01-06
Release date:2009-01-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The oligomeric assembly of the novel haem-degrading protein HbpS is essential for interaction with its cognate two-component sensor kinase
J.Mol.Biol., 386, 2009
7Q57
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BU of 7q57 by Molmil
Single Particle Cryo-EM structure of photosynthetic A10B10 glyceraldehyde-3-phospahte dehydrogenase from Spinacia oleracea.
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic,Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, ...
Authors:Marotta, R, Fermani, S, Sparla, F, Trost, P, Del Giudice, A.
Deposit date:2021-11-02
Release date:2022-11-16
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (13 Å)
Cite:Unravelling the regulation pathway of photosynthetic AB-GAPDH.
Acta Crystallogr D Struct Biol, 78, 2022
1NSB
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BU of 1nsb by Molmil
THE 2.2 ANGSTROMS RESOLUTION CRYSTAL STRUCTURE OF INFLUENZA B NEURAMINIDASE AND ITS COMPLEX WITH SIALIC ACID
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE
Authors:Burmeister, W.P, Ruigrok, R.W.H, Cusack, S.
Deposit date:1991-08-08
Release date:1993-10-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The 2.2 A resolution crystal structure of influenza B neuraminidase and its complex with sialic acid.
EMBO J., 11, 1992
1NWA
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BU of 1nwa by Molmil
Structure of Mycobacterium tuberculosis Methionine Sulfoxide Reductase A in Complex with Protein-bound Methionine
Descriptor: Peptide methionine sulfoxide reductase msrA
Authors:Taylor, A.B, Benglis Jr, D.M, Dhandayuthapani, S, Hart, P.J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2003-02-05
Release date:2003-07-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of Mycobacterium tuberculosis Methionine Sulfoxide Reductase A in Complex with Protein-bound Methionine
J.Bacteriol., 185, 2003
7KGS
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BU of 7kgs by Molmil
Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N138-146
Descriptor: ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ...
Authors:Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S.
Deposit date:2020-10-18
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:The presentation of SARS-CoV-2 peptides by the common HLA-A*02:01 molecule.
Iscience, 24, 2021
7Q40
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BU of 7q40 by Molmil
Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2
Descriptor: CITRIC ACID, E3 ubiquitin-protein ligase HERC2
Authors:Demenge, A, Howard, E, Cousido-Siah, A, Mitschler, A, Podjarny, A, McEwen, A.G, Trave, G.
Deposit date:2021-10-29
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35002232 Å)
Cite:Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2
To Be Published
8T52
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BU of 8t52 by Molmil
HIV-1 Integrase Catalytic Core Domain (CCD) F185H/Y99H/A128T Mutant Complexed with EKC-110
Descriptor: (2S)-tert-butoxy{4-(4-chlorophenyl)-2,6-dimethyl-1-[(1-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl}acetic acid, Integrase
Authors:Dinh, T, Kvaratskhelia, M.
Deposit date:2023-06-12
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The structural and mechanistic bases for the viral resistance to allosteric HIV-1 integrase inhibitor pirmitegravir.
Biorxiv, 2024
7Q44
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BU of 7q44 by Molmil
Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of deubiquitinase USP35
Descriptor: CITRIC ACID, Deubiquitinase USP35 peptide, E3 ubiquitin-protein ligase HERC2
Authors:Demenge, A, Howard, E, Cousido-Siah, A, Mitschler, A, Podjarny, A, McEwen, A.G, Trave, G.
Deposit date:2021-10-29
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.20007777 Å)
Cite:Crystal structure of RCC1-Like domain 2 of ubiquitin ligase HERC2 in complex with DXDKDED motif of deubiquitinase USP35
To Be Published
2SBT
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BU of 2sbt by Molmil
A COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF SUBTILISIN BPN AND SUBTILISIN NOVO
Descriptor: ACETONE, SUBTILISIN NOVO
Authors:Drenth, J, Hol, W.G.J, Jansonius, J.N, Koekoek, R.
Deposit date:1976-09-07
Release date:1976-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A comparison of the three-dimensional structures of subtilisin BPN' and subtilisin novo.
Cold Spring Harbor Symp.Quant.Biol., 36, 1972
5C8K
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BU of 5c8k by Molmil
EGFR kinase domain mutant "TMLR" with compound 1
Descriptor: 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-06-25
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
3A1K
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BU of 3a1k by Molmil
Crystal structure of Rhodococcus sp. N771 Amidase
Descriptor: Amidase
Authors:Ohtaki, A, Noguchi, K, Sato, Y, Murata, K, Odaka, M, Yohda, M.
Deposit date:2009-04-09
Release date:2009-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure and characterization of amidase from Rhodococcus sp. N-771: Insight into the molecular mechanism of substrate recognition
Biochim.Biophys.Acta, 1804, 2010
4HPB
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BU of 4hpb by Molmil
Crystal structure of Nitrophorin 4 from Rhodnius prolixus Complexed with Beta-Mercaptoethanol at pH 7.4
Descriptor: BETA-MERCAPTOETHANOL, Nitrophorin-4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Nishikawa, K, Ogata, H, Knipp, M.
Deposit date:2012-10-23
Release date:2013-03-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Complexes of ferriheme nitrophorin 4 with low-molecular weight thiol(ate)s occurring in blood plasma
J.Inorg.Biochem., 122, 2013
1NZ0
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BU of 1nz0 by Molmil
RNASE P PROTEIN FROM THERMOTOGA MARITIMA
Descriptor: Ribonuclease P protein component, SULFATE ION
Authors:Kazantsev, A.V, Krivenko, A.A, Harrington, D.J, Carter, R.J, Holbrook, S.R, Adams, P.D, Pace, N.R, Berkeley Structural Genomics Center (BSGC)
Deposit date:2003-02-14
Release date:2003-06-24
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:High-resolution structure of RNase P protein from Thermotoga maritima.
Proc.Natl.Acad.Sci.USA, 100, 2003
5C8S
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BU of 5c8s by Molmil
Crystal structure of the SARS coronavirus nsp14-nsp10 complex with functional ligands SAH and GpppA
Descriptor: GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE, Guanine-N7 methyltransferase, MAGNESIUM ION, ...
Authors:Ma, Y.Y, Wu, L.J, Zhang, R.G, Rao, Z.H.
Deposit date:2015-06-26
Release date:2015-07-15
Last modified:2015-08-12
Method:X-RAY DIFFRACTION (3.326 Å)
Cite:Structural basis and functional analysis of the SARS coronavirus nsp14-nsp10 complex
Proc.Natl.Acad.Sci.USA, 112, 2015
7KNI
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BU of 7kni by Molmil
Cryo-EM structure of Triple ACE2-bound SARS-CoV-2 Trimer Spike at pH 5.5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Gorman, J, Rapp, M, Kwong, P.D, Shapiro, L.
Deposit date:2020-11-04
Release date:2020-12-16
Last modified:2021-12-15
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:Cryo-EM Structures of SARS-CoV-2 Spike without and with ACE2 Reveal a pH-Dependent Switch to Mediate Endosomal Positioning of Receptor-Binding Domains.
Cell Host Microbe, 28, 2020
2ST1
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BU of 2st1 by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF BACILLUS AMYLOLIQUEFACIENS SUBTILISIN AT 1.8 ANGSTROMS AND AN ANALYSIS OF THE STRUCTURAL CONSEQUENCES OF PEROXIDE INACTIVATION
Descriptor: CALCIUM ION, SUBTILISIN BPN', SULFATE ION
Authors:Bott, R.
Deposit date:1990-05-11
Release date:1991-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The three-dimensional structure of Bacillus amyloliquefaciens subtilisin at 1.8 A and an analysis of the structural consequences of peroxide inactivation.
J.Biol.Chem., 263, 1988
4HIY
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BU of 4hiy by Molmil
crystal structure of R34/53A, D95N, H112W mutant of borna disease virus matrix protein
Descriptor: Matrix protein, SULFATE ION
Authors:Dautel, P, Kolenko, P, Stubbs, M.T.
Deposit date:2012-10-12
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Matrix protein variants provide support for alternative borna disease virus infection pathway
To be Published
5CAP
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BU of 5cap by Molmil
EGFR kinase domain mutant "TMLR" with compound 30
Descriptor: 2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine, Epidermal growth factor receptor, SULFATE ION
Authors:Eigenbrot, C, Yu, C.
Deposit date:2015-06-29
Release date:2015-10-28
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Noncovalent Mutant Selective Epidermal Growth Factor Receptor Inhibitors: A Lead Optimization Case Study.
J.Med.Chem., 58, 2015
5F1H
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BU of 5f1h by Molmil
Crystal structure of the BRD9 bromodamian in complex with BI-9564.
Descriptor: 4-[4-[(dimethylamino)methyl]-2,5-dimethoxy-phenyl]-2-methyl-2,7-naphthyridin-1-one, Bromodomain-containing protein 9
Authors:Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2015-11-30
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
3A9I
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BU of 3a9i by Molmil
Crystal structure of homocitrate synthase from Thermus thermophilus complexed with Lys
Descriptor: COBALT (II) ION, Homocitrate synthase, LYSINE
Authors:Okada, T, Tomita, T, Kuzuyama, T, Nishiyama, M.
Deposit date:2009-10-28
Release date:2009-12-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of substrate recognition and insight into feedback inhibition of homocitrate synthase from Thermus thermophilus
J.Biol.Chem., 285, 2010
8TCH
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BU of 8tch by Molmil
Initiation of replication protein with helicase activity encoded by Pathogenicity Island SaPIBov1
Descriptor: Pathogenicity island protein
Authors:Mir-Sanchis, I, Rice, P.
Deposit date:2023-07-01
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Initiation of replication protein with helicase activity encoded by Pathogenicity Island SaPIBov1
To Be Published
5F1L
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BU of 5f1l by Molmil
Crystal structure of the bromodomain of BRD9 in complex with compound 9.
Descriptor: 5-[3,5-dimethoxy-4-[(3-oxidanylazetidin-1-yl)methyl]phenyl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 9
Authors:Bader, G, Martin, L.J, Steurer, S, Weiss-Puxbaum, A, Zoephel, A.
Deposit date:2015-11-30
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor.
J.Med.Chem., 59, 2016
4LWC
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BU of 4lwc by Molmil
Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions
Descriptor: 5-[3-chloro-4-({4-[1-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]benzyl}carbamothioyl)phenyl]furan-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
Authors:Feldkamp, M.D, Frank, A.O, Kennedy, J.P, Waterson, A.G, Olejnczak, E.O, Pelz, N.F, Patrone, J.D, Vangamudi, B, Camper, D.V, Rossanese, O.W, Fesik, S.W, Chazin, W.J.
Deposit date:2013-07-26
Release date:2013-12-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
J.Med.Chem., 56, 2013
8TKB
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BU of 8tkb by Molmil
tRNA 2-phosphotransferase (Tpt1) from Pyrococcus horikoshii in complex with 5'-AMP
Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, POTASSIUM ION, ...
Authors:Jacewicz, A, Dantuluri, S, Shuman, S.
Deposit date:2023-07-25
Release date:2024-06-19
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:tRNA 2-phosphotransferase (Tpt1) from Pyrococcus horikoshii in complex with 5'-AMP
To Be Published
7KGT
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BU of 7kgt by Molmil
Crystal Structure of HLA-A*0201 in complex with SARS-CoV-2 N226-234
Descriptor: ACETATE ION, Beta-2-microglobulin, CADMIUM ION, ...
Authors:Szeto, C, Chatzileontiadou, D.S.M, Riboldi-Tunnicliffe, A, Gras, S.
Deposit date:2020-10-18
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The presentation of SARS-CoV-2 peptides by the common HLA-A*02:01 molecule.
Iscience, 24, 2021

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