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1N86
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BU of 1n86 by Molmil
Crystal structure of human D-dimer from cross-linked fibrin complexed with GPR and GHRPLDK peptide ligands.
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CALCIUM ION, Fibrin alpha/alpha-E chain, ...
著者Yang, Z, Pandi, L, Doolittle, R.F.
登録日2002-11-19
公開日2003-01-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献The crystal structure of fragment double-D from cross-linked lamprey fibrin reveals isopeptide linkages across an unexpected D-D interface.
Biochemistry, 41, 2002
5KWF
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BU of 5kwf by Molmil
Joint X-ray Neutron Structure of Cholesterol Oxidase
分子名称: Cholesterol oxidase, FLAVIN-ADENINE DINUCLEOTIDE
著者Golden, E, Vrielink, A, Meilleur, F, Blakeley, M.
登録日2016-07-18
公開日2017-02-01
最終更新日2024-03-06
実験手法NEUTRON DIFFRACTION (1.499 Å), X-RAY DIFFRACTION
主引用文献An extended N-H bond, driven by a conserved second-order interaction, orients the flavin N5 orbital in cholesterol oxidase.
Sci Rep, 7, 2017
1L5Z
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BU of 1l5z by Molmil
CRYSTAL STRUCTURE OF THE E121K SUBSTITUTION OF THE RECEIVER DOMAIN OF SINORHIZOBIUM MELILOTI DCTD
分子名称: C4-DICARBOXYLATE TRANSPORT TRANSCRIPTIONAL REGULATORY PROTEIN DCTD, GLYCEROL, SULFATE ION
著者Park, S, Meyer, M, Jones, A.D, Yennawar, H.P, Yennawar, N.H, Nixon, B.T.
登録日2002-03-08
公開日2002-10-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Two-component signaling in the AAA + ATPase DctD: binding Mg2+ and BeF3- selects between alternate dimeric states of the receiver domain
FASEB J., 16, 2002
1L5Y
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BU of 1l5y by Molmil
CRYSTAL STRUCTURE OF MG2+ / BEF3-BOUND RECEIVER DOMAIN OF SINORHIZOBIUM MELILOTI DCTD
分子名称: BERYLLIUM DIFLUORIDE, BERYLLIUM TETRAFLUORIDE ION, BERYLLIUM TRIFLUORIDE ION, ...
著者Park, S, Meyer, M, Jones, A.D, Yennawar, H.P, Yennawar, N.H, Nixon, B.T.
登録日2002-03-08
公開日2002-10-23
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Two-component signaling in the AAA + ATPase DctD: binding Mg2+ and BeF3- selects between alternate dimeric states of the receiver domain
FASEB J., 16, 2002
1KCP
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BU of 1kcp by Molmil
3D STRUCTURE OF K-CONOTOXIN PVIIA, A NOVEL POTASSIUM CHANNEL-BLOCKING TOXIN FROM CONE SNAILS, NMR, 22 STRUCTURES
分子名称: KAPPA-CONOTOXIN PVIIA
著者Savarin, P, Guenneugues, M, Gilquin, B, Lamthanh, H, Gasparini, S, Zinn-Justin, S, Menez, A.
登録日1998-01-27
公開日1998-10-14
最終更新日2017-11-29
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of kappa-conotoxin PVIIA, a novel potassium channel-blocking toxin from cone snails.
Biochemistry, 37, 1998
6MEV
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BU of 6mev by Molmil
Structure of JMJD6 bound to Mono-Methyl Arginine.
分子名称: (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid, 2-OXOGLUTARIC ACID, Bifunctional arginine demethylase and lysyl-hydroxylase JMJD6, ...
著者Lee, S, Zhang, G.
登録日2018-09-07
公開日2019-09-18
最終更新日2020-04-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献JMJD6 cleaves MePCE to release positive transcription elongation factor b (P-TEFb) in higher eukaryotes.
Elife, 9, 2020
6OHH
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BU of 6ohh by Molmil
Structure of EF1p2_mFAP2b bound to DFHBI
分子名称: (5Z)-5-(3,5-difluoro-4-hydroxybenzylidene)-2,3-dimethyl-3,5-dihydro-4H-imidazol-4-one, CALCIUM ION, EF1p2_mFAP2b
著者Doyle, L.A, Stoddard, B.L.
登録日2019-04-05
公開日2020-04-08
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Incorporation of sensing modalities into de novo designed fluorescence-activating proteins
Nat Commun, 12, 2021
6O9U
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BU of 6o9u by Molmil
KirBac3.1 at a resolution of 2 Angstroms
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 3,3',3''-phosphoryltripropanoic acid, BARIUM ION, ...
著者Gulbis, J.M, Clarke, O.B.
登録日2019-03-15
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A constricted opening in Kir channels does not impede potassium conduction.
Nat Commun, 11, 2020
6O9T
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BU of 6o9t by Molmil
KirBac3.1 mutant at a resolution of 4.1 Angstroms
分子名称: 2,3,5,6-tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione, Inward rectifier potassium channel Kirbac3.1, POTASSIUM ION
著者Gulbis, J.M, Black, K.A, Miller, D.M.
登録日2019-03-15
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (4.01 Å)
主引用文献A constricted opening in Kir channels does not impede potassium conduction.
Nat Commun, 11, 2020
6O9V
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BU of 6o9v by Molmil
KirBac3.1 mutant at a resolution of 3.1 Angstroms
分子名称: 1,1-Methanediyl Bismethanethiosulfonate, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, Inward rectifier potassium channel Kirbac3.1, ...
著者Gulbis, J.M, Black, K.A, Miller, D.M.
登録日2019-03-15
公開日2020-05-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.094 Å)
主引用文献A constricted opening in Kir channels does not impede potassium conduction.
Nat Commun, 11, 2020
4IS1
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BU of 4is1 by Molmil
Crystal structure of ZNF217 bound to DNA
分子名称: 5'-D(*AP*AP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', 5'-D(*TP*TP*TP*GP*CP*AP*GP*AP*AP*TP*CP*GP*AP*TP*TP*CP*TP*GP*CP*A)-3', CHLORIDE ION, ...
著者Vandevenne, M.S, Jacques, D.A, Guss, J.M, Mackay, J.P.
登録日2013-01-16
公開日2013-02-27
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献New insights into DNA recognition by zinc fingers revealed by structural analysis of the oncoprotein ZNF217.
J.Biol.Chem., 288, 2013
2YWY
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BU of 2ywy by Molmil
Structure of new antigen receptor variable domain from sharks
分子名称: new antigen receptor variable domain
著者Streltsov, V.A.
登録日2007-04-23
公開日2007-10-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.71 Å)
主引用文献Shark IgNAR antibody mimotopes target a murine immunoglobulin through extended CDR3 loop structures
Proteins, 71, 2007
5JHQ
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BU of 5jhq by Molmil
ARCs 1-3 of human Tankyrase-1 bound to a peptide derived from IRAP
分子名称: Peptide derived from insulin-responsive aminopeptidase (IRAP), Tankyrase-1
著者Eisemann, T, Pascal, J.M.
登録日2016-04-21
公開日2016-09-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Tankyrase-1 Ankyrin Repeats Form an Adaptable Binding Platform for Targets of ADP-Ribose Modification.
Structure, 24, 2016
4CPK
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BU of 4cpk by Molmil
Crystal structure of PBP2a double clinical mutant N146K-E150K from MRSA
分子名称: CADMIUM ION, CHLORIDE ION, Penicillin binding protein 2 prime, ...
著者Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
登録日2014-02-07
公開日2014-09-10
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Disruption of Allosteric Response as an Unprecedented Mechanism of Resistance to Antibiotics.
J.Am.Chem.Soc., 136, 2014
6WMI
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BU of 6wmi by Molmil
ZNF410 zinc fingers 1-5 with 17 mer blunt DNA Oligonucleotide
分子名称: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*CP*AP*TP*AP*AP*TP*AP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*TP*TP*AP*TP*GP*GP*GP*AP*TP*GP*TP*G)-3'), ...
著者Ren, R, Horton, J.R, Cheng, X.
登録日2020-04-21
公開日2020-12-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献ZNF410 Uniquely Activates the NuRD Component CHD4 to Silence Fetal Hemoglobin Expression.
Mol.Cell, 81, 2021
4OBQ
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BU of 4obq by Molmil
MAP4K4 in complex with inhibitor (compound 31), N-[3-(4-AMINOQUINAZOLIN-6-YL)-5-FLUOROPHENYL]-2-(PYRROLIDIN-1-YL)ACETAMIDE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Mitogen-activated protein kinase kinase kinase kinase 4, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-01-07
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
4OBO
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BU of 4obo by Molmil
MAP4K4 in complex with inhibitor (compound 22), 6-(3-CHLOROPHENYL)QUINAZOLIN-4-AMINE
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-(3-chlorophenyl)quinazolin-4-amine, Mitogen-activated protein kinase kinase kinase kinase 4, ...
著者Harris, S.F, Wu, P, Coons, M.
登録日2014-01-07
公開日2014-04-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Selective 4-Amino-pyridopyrimidine Inhibitors of MAP4K4 Using Fragment-Based Lead Identification and Optimization.
J.Med.Chem., 57, 2014
4CEL
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BU of 4cel by Molmil
ACTIVE-SITE MUTANT D214N DETERMINED AT PH 6.0 WITH NO LIGAND BOUND IN THE ACTIVE SITE
分子名称: 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION
著者Divne, C, Stahlberg, J, Jones, T.A.
登録日1996-08-24
公開日1997-03-12
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Activity studies and crystal structures of catalytically deficient mutants of cellobiohydrolase I from Trichoderma reesei.
J.Mol.Biol., 264, 1996
7N5S
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BU of 7n5s by Molmil
ZBTB7A Zinc Finger Domain Bound to -200 Site of Fetal Globin Promoter (Oligo 6)
分子名称: DNA Strand I, DNA Strand II, ZINC ION, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2021-06-06
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Structural basis for human ZBTB7A action at the fetal globin promoter.
Cell Rep, 36, 2021
4GRT
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BU of 4grt by Molmil
HUMAN GLUTATHIONE REDUCTASE A34E, R37W MUTANT, MIXED DISULFIDE BETWEEN TRYPANOTHIONE AND THE ENZYME
分子名称: BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE, FLAVIN-ADENINE DINUCLEOTIDE, GLUTATHIONE REDUCTASE
著者Stoll, V.S, Simpson, S.J, Krauth-Siegel, R.L, Walsh, C.T, Pai, E.F.
登録日1997-02-12
公開日1997-08-12
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Glutathione reductase turned into trypanothione reductase: structural analysis of an engineered change in substrate specificity.
Biochemistry, 36, 1997
7N5T
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BU of 7n5t by Molmil
ZBTB7A Zinc Finger Domain Bound to -200 Site of Fetal Globin Promoter (Oligo 5)
分子名称: DNA Strand I, DNA Strand II, ZINC ION, ...
著者Horton, J.R, Ren, R, Cheng, X.
登録日2021-06-06
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for human ZBTB7A action at the fetal globin promoter.
Cell Rep, 36, 2021
5QCW
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BU of 5qcw by Molmil
Crystal structure of BACE complex with BMC021
分子名称: (2R,4S)-N-butyl-4-[(2S,5S,7R)-2,7-dimethyl-3,15-dioxo-1,4-diazacyclopentadecan-5-yl]-4-hydroxy-2-methylbutanamide, Beta-secretase 1
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
5QD7
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BU of 5qd7 by Molmil
Crystal structure of BACE complex with BMC014
分子名称: (4S)-4-[(1R)-1-hydroxy-2-({1-[3-(1-methylethyl)phenyl]cyclopropyl}amino)ethyl]-19-(methoxymethyl)-11-oxa-3,16-diazatric yclo[15.3.1.1~6,10~]docosa-1(21),6(22),7,9,17,19-hexaen-2-one, Beta-secretase 1
著者Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
登録日2017-12-01
公開日2020-06-03
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
3WX1
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BU of 3wx1 by Molmil
Mouse Cereblon thalidomide binding domain, selenomethionine derivative
分子名称: Protein cereblon, SULFATE ION, ZINC ION
著者Mori, T, Ito, T, Hirano, Y, Yamaguchi, Y, Handa, H, Hakoshima, T.
登録日2014-07-10
公開日2014-08-06
最終更新日2014-09-17
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structure of the human Cereblon-DDB1-lenalidomide complex reveals basis for responsiveness to thalidomide analogs
Nat.Struct.Mol.Biol., 21, 2014
3WX2
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BU of 3wx2 by Molmil
Mouse Cereblon thalidomide binding domain, native
分子名称: Protein cereblon, SULFATE ION, ZINC ION
著者Mori, T, Ito, T, Hirano, Y, Yamaguchi, Y, Handa, H, Hakoshima, T.
登録日2014-07-10
公開日2014-08-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the human Cereblon-DDB1-lenalidomide complex reveals basis for responsiveness to thalidomide analogs
Nat.Struct.Mol.Biol., 21, 2014

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