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5Z6S
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BU of 5z6s by Molmil
Crystal structure of the PPARgamma-LBD complexed with compound DS-6930
Descriptor: 3-[[6-(3,5-dimethylpyridin-2-yl)oxy-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid, CHLORIDE ION, Peptide from Peroxisome proliferator-activated receptor gamma coactivator 1-alpha, ...
Authors:Matsui, Y, Hanzawa, H.
Deposit date:2018-01-25
Release date:2018-10-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of DS-6930, a potent selective PPAR gamma modulator. Part II: Lead optimization.
Bioorg. Med. Chem., 26, 2018
6ER6
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BU of 6er6 by Molmil
Crystal structure of a computationally designed colicin endonuclease and immunity pair colEdes7/Imdes7
Descriptor: Endonuclease colEdes7, immunity Imdes7
Authors:Netzer, R, Listov, D, Dym, O, Albeck, S, Knop, O, Fleishman, S.J.
Deposit date:2017-10-17
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ultrahigh specificity in a network of computationally designed protein-interaction pairs.
Nat Commun, 9, 2018
3LZP
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BU of 3lzp by Molmil
Crystal Structure Analysis of the 'as-isolated' P19 protein from Campylobacter jejuni at 1.65 A at pH 9.0
Descriptor: COPPER (II) ION, P19 protein, SULFATE ION
Authors:Doukov, T.I, Chan, A.C.K, Scofield, M, Ramin, A.B, Tom-Yew, S.A.L, Murphy, M.E.P.
Deposit date:2010-03-01
Release date:2010-07-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and Function of P19, a High-Affinity Iron Transporter of the Human Pathogen Campylobacter jejuni.
J.Mol.Biol., 401, 2010
2Q9O
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BU of 2q9o by Molmil
Near-atomic resolution structure of a Melanocarpus albomyces laccase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Hakulinen, N, Rouvinen, J.
Deposit date:2007-06-13
Release date:2008-03-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A near atomic resolution structure of a Melanocarpus albomyces laccase.
J.Struct.Biol., 162, 2008
3CAB
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BU of 3cab by Molmil
Crystal structure of a pheromone binding protein from Apis mellifera soaked at pH 7.0
Descriptor: GLYCEROL, Pheromone-binding protein ASP1
Authors:Pesenti, M.E, Spinelli, S, Bezirard, V, Briand, L, Pernollet, J.C, Tegoni, M, Cambillau, C.
Deposit date:2008-02-19
Release date:2008-06-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural basis of the honey bee PBP pheromone and pH-induced conformational change
J.Mol.Biol., 380, 2008
3PBE
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BU of 3pbe by Molmil
Crystal structure of the mutant W207F of human secretory glutaminyl cyclase
Descriptor: Glutaminyl-peptide cyclotransferase, SULFATE ION, ZINC ION
Authors:Huang, K.F, Liaw, S.S, Huang, W.L, Chia, C.Y, Lo, Y.C, Chen, Y.L, Wang, A.H.J.
Deposit date:2010-10-20
Release date:2011-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of human Golgi-resident glutaminyl cyclase and its complexes with inhibitors reveal a large loop movement upon inhibitor binding
J.Biol.Chem., 286, 2011
3PDC
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BU of 3pdc by Molmil
Crystal structure of hydrolase domain of human soluble epoxide hydrolase complexed with a benzoxazole inhibitor
Descriptor: Epoxide hydrolase 2, N-(5-chloro-1,3-benzoxazol-2-yl)-2-cyclopentylacetamide
Authors:Kurumbail, R.G, Williams, J.M.
Deposit date:2010-10-22
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Discovery of potent inhibitors of soluble epoxide hydrolase by combinatorial library design and structure-based virtual screening.
J.Med.Chem., 54, 2011
5HGN
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BU of 5hgn by Molmil
Hexameric HIV-1 CA, apo form
Descriptor: Capsid protein P24
Authors:Jacques, D.A, Price, A.J, James, D.A.
Deposit date:2016-01-08
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
5HGL
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BU of 5hgl by Molmil
Hexameric HIV-1 CA, open conformation
Descriptor: CHLORIDE ION, Capsid protein P24, N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
Authors:Price, A.J, Jacques, D.A, James, L.C.
Deposit date:2016-01-08
Release date:2016-08-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:HIV-1 uses dynamic capsid pores to import nucleotides and fuel encapsidated DNA synthesis.
Nature, 536, 2016
6GKM
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BU of 6gkm by Molmil
CryoEM structure of the MDA5-dsRNA filament in complex with ATP (10 mM)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Interferon-induced helicase C domain-containing protein 1, RNA (5'-R(P*CP*AP*AP*GP*CP*CP*GP*AP*GP*GP*AP*GP*AP*G)-3'), ...
Authors:Yu, Q, Qu, K, Modis, Y.
Deposit date:2018-05-21
Release date:2018-11-21
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.87 Å)
Cite:Cryo-EM Structures of MDA5-dsRNA Filaments at Different Stages of ATP Hydrolysis.
Mol. Cell, 72, 2018
2ODE
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BU of 2ode by Molmil
Crystal structure of the heterodimeric complex of human RGS8 and activated Gi alpha 3
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(k) subunit alpha, MAGNESIUM ION, ...
Authors:Gileadi, C, Soundararajan, M, Turnbull, A.P, Elkins, J.M, Papagrigoriou, E, Pike, A.C.W, Bunkoczi, G, Gorrec, F, Umeano, C, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Doyle, D.A, Structural Genomics Consortium (SGC)
Deposit date:2006-12-22
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural diversity in the RGS domain and its interaction with heterotrimeric G protein alpha-subunits.
Proc.Natl.Acad.Sci.Usa, 105, 2008
3GUG
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BU of 3gug by Molmil
Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
Descriptor: 3,5-dichloro-2-hydroxybenzoic acid, Aldo-keto reductase family 1 member C1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Dhagat, U, El-Kabbani, O.
Deposit date:2009-03-30
Release date:2010-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of AKR1C1 L308V mutant in complex with NADP and 3,5-dichlorosalicylic acid
To be Published
5HQ8
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BU of 5hq8 by Molmil
Co-crystal Structure of human SMYD3 with a MEKK2 peptide at 2.13A
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
Authors:Elkins, P.A, Bonnette, W.G.
Deposit date:2016-01-21
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Structure-Based Design of a Novel SMYD3 Inhibitor that Bridges the SAM-and MEKK2-Binding Pockets.
Structure, 24, 2016
1JO3
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BU of 1jo3 by Molmil
Gramicidin B in Sodium Dodecyl Sulfate Micelles (NMR)
Descriptor: GRAMICIDIN B
Authors:Townsley, L.E, Tucker, W.A, Hinton, J.F.
Deposit date:2001-07-26
Release date:2001-08-08
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Structures of Gramicidins A, B, and C Incorporated Into Sodium Dodecyl Sulfate Micelles.
Biochemistry, 40, 2001
1JP9
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BU of 1jp9 by Molmil
Sperm Whale met-Myoglobin (low temperature; high pressure)
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, myoglobin
Authors:Urayama, P, Gruner, S.M, Phillips Jr, G.N.
Deposit date:2001-08-01
Release date:2002-01-16
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Probing substates in sperm whale myoglobin using high-pressure crystallography.
Structure, 10, 2002
3Q1J
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BU of 3q1j by Molmil
Crystal structure of tudor domain 1 of human PHD finger protein 20
Descriptor: PHD finger protein 20, UNKNOWN ATOM OR ION
Authors:Tempel, W, Li, Z, Wernimont, A.K, Chao, X, Bian, C, Lam, R, Crombet, L, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-12-17
Release date:2011-02-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structures of the Tudor domains of human PHF20 reveal novel structural variations on the Royal Family of proteins.
Febs Lett., 586, 2012
4RQV
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BU of 4rqv by Molmil
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS2
Descriptor: 3-phosphoinositide-dependent protein kinase 1, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Rettenmaier, T.J, Wells, J.A.
Deposit date:2014-11-05
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
3PK2
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BU of 3pk2 by Molmil
Artificial Transfer Hydrogenases for the Enantioselective Reduction of Cyclic Imines
Descriptor: IRIDIUM (III) ION, Streptavidin, {N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)
Authors:Schirmer, T, Heinisch, T.
Deposit date:2010-11-11
Release date:2011-04-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Artificial transfer hydrogenases for the enantioselective reduction of cyclic imines.
Angew.Chem.Int.Ed.Engl., 50, 2011
3D14
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BU of 3d14 by Molmil
Crystal structure of mouse Aurora A (Asn186->Gly, Lys240->Arg, Met302->Leu) in complex with 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)-ethyl]- thiazol-2-yl}-3-(3-trifluoromethyl-phenyl)-urea
Descriptor: 1-{5-[2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl]-1,3-thiazol-2-yl}-3-[3-(trifluoromethyl)phenyl]urea, serine/threonine kinase 6
Authors:Elling, R.A, Baskaran, S, Allen, D.A, Oslob, J.D, Romanowski, M.J.
Deposit date:2008-05-04
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of a potent and selective aurora kinase inhibitor.
Bioorg.Med.Chem.Lett., 18, 2008
4RQK
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BU of 4rqk by Molmil
Crystal structure of PDK1 in complex with ATP and the PIF-pocket ligand RS1
Descriptor: 3-phosphoinositide-dependent protein kinase 1, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Rettenmaier, T.J, Wells, J.A.
Deposit date:2014-11-03
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A small-molecule mimic of a peptide docking motif inhibits the protein kinase PDK1.
Proc.Natl.Acad.Sci.USA, 111, 2014
3PSX
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BU of 3psx by Molmil
Crystal structure of the KT2 mutant of cytochrome P450 BM3
Descriptor: Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yang, W, Whitehouse, C.J.C, Yorke, J.A, Bell, S.G, Zhou, W, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2010-12-02
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure, electronic properties and catalytic behaviour of an activity-enhancing CYP102A1 (P450(BM3)) variant
Dalton Trans, 40, 2011
2PSO
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BU of 2pso by Molmil
Human StarD13 (DLC2) lipid transfer and protein localization domain
Descriptor: StAR-related lipid transfer protein 13
Authors:Lehtio, L, Busam, R, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Ogg, D, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Van den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
Deposit date:2007-05-07
Release date:2007-05-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Comparative structural analysis of lipid binding START domains.
Plos One, 6, 2011
3BAM
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BU of 3bam by Molmil
RESTRICTION ENDONUCLEASE BAMHI COMPLEX WITH DNA AND MANGANESE IONS (POST-REACTIVE COMPLEX)
Descriptor: DNA (5'-D(*TP*AP*TP*G)-3'), DNA (5'-D(*TP*AP*TP*GP*GP*AP*TP*CP*CP*AP*TP*A)-3'), DNA (5'-D(P*GP*AP*TP*CP*CP*AP*TP*A)-3'), ...
Authors:Viadiu, H, Aggarwal, A.K.
Deposit date:1998-08-19
Release date:1999-01-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The role of metals in catalysis by the restriction endonuclease BamHI.
Nat.Struct.Biol., 5, 1998
3Q3F
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BU of 3q3f by Molmil
Engineering Domain-Swapped Binding Interfaces by Mutually Exclusive Folding: Insertion of Ubiquitin into position 103 of Barnase
Descriptor: Ribonuclease/Ubiquitin chimeric protein, SULFATE ION
Authors:Ha, J.-H, Karchin, J.M, Walker-Kopp, N, Huang, L.-S, Berry, E.A, Loh, S.N.
Deposit date:2010-12-21
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.169 Å)
Cite:Engineering domain-swapped binding interfaces by mutually exclusive folding.
J.Mol.Biol., 416, 2012
2QGB
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BU of 2qgb by Molmil
Human transthyretin (TTR) in Apo-form
Descriptor: Transthyretin
Authors:Connelly, S, Wilson, I.A.
Deposit date:2007-06-28
Release date:2008-02-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Biochemical and structural evaluation of highly selective 2-arylbenzoxazole-based transthyretin amyloidogenesis inhibitors.
J.Med.Chem., 51, 2008

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数据于2024-08-14公开中

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