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PDB: 45955 件
7ZRR
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Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK965
分子名称: 1,2-ETHANEDIOL, 1,3,5-tris(bromomethyl)benzene, AMINO GROUP, ...
著者Caregnato, A, Angela, P, Mazzoccato, Y, Frasson, N, Angelini, A, Cendron, L.
登録日2022-05-05
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK965
To Be Published
1H0A
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Epsin ENTH bound to Ins(1,4,5)P3
分子名称: 1,4-DIETHYLENE DIOXIDE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, EPSIN
著者Ford, M.G.J, McMahon, H.T, Evans, P.R.
登録日2002-06-12
公開日2002-10-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Curvature of Clathrin-Coated Pits Driven by Epsin
Nature, 419, 2002
7ZRT
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Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK970
分子名称: 1,2-ETHANEDIOL, 1,3,5-tris(bromomethyl)benzene, DI(HYDROXYETHYL)ETHER, ...
著者Caregnato, A, Angela, P, Mazzoccato, Y, Frasson, N, Angelini, A, Cendron, L.
登録日2022-05-05
公開日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK970
To Be Published
5YFY
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Plasmodium vivax SHMT bound with PLP-glycine and GS625
分子名称: 1-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-fluoranyl-phenyl]piperidine-4-carboxylic acid, CHLORIDE ION, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], ...
著者Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
登録日2017-09-22
公開日2018-09-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献to be published
to be published
2V2X
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BU of 2v2x by Molmil
T cell cross-reactivity and conformational changes during TCR engagement.
分子名称: BETA-2 MICROGLOBULIN, HIV P17, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
著者Lee, J.K, Stewart-Jones, G, Dong, T, harlos, K, Di Gleria, K, Dorrell, L, Douek, D.C, van der Merwe, P.A, Jones, E.Y, McMichael, A.J.
登録日2007-06-07
公開日2007-11-06
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献T Cell Cross-Reactivity and Conformational Changes During Tcr Engagement.
J.Exp.Med., 200, 2004
6EW2
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Human myelin protein P2 F57A mutant, tetragonal crystal form
分子名称: CHLORIDE ION, Myelin P2 protein, PALMITIC ACID
著者Laulumaa, S, Lehtimaki, M, Kursula, P.
登録日2017-11-03
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.588 Å)
主引用文献Structure and dynamics of a human myelin protein P2 portal region mutant indicate opening of the beta barrel in fatty acid binding proteins.
BMC Struct. Biol., 18, 2018
6EW5
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Human myelin protein P2 F57A mutant, monoclinic crystal form
分子名称: Myelin P2 protein, PALMITIC ACID
著者Laulumaa, S, Lehtimaki, M, Kursula, P.
登録日2017-11-03
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and dynamics of a human myelin protein P2 portal region mutant indicate opening of the beta barrel in fatty acid binding proteins.
BMC Struct. Biol., 18, 2018
1E8W
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Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT
著者Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L.
登録日2000-10-03
公開日2000-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
6ARX
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Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in the ligand-free state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ...
著者Cheung, J, Mahmood, A, Kalathur, R, Lixuan, L, Carlier, P.R.
登録日2017-08-23
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structure of the G119S Mutant Acetylcholinesterase of the Malaria Vector Anopheles gambiae Reveals Basis of Insecticide Resistance.
Structure, 26, 2018
6JHF
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Crystal structure of apo Pullulanase from Paenibacillus barengoltzii
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
著者Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q.
登録日2019-02-18
公開日2019-03-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structural basis of carbohydrate binding in domain C of a type I pullulanase from Paenibacillus barengoltzii.
Acta Crystallogr D Struct Biol, 76, 2020
6EYA
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BU of 6eya by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
分子名称: Heat shock protein HSP 90-alpha, ~{N}-(1,3-benzodioxol-5-yl)-~{N}-methyl-3-[(3-methylphenyl)methyl]-6-oxidanyl-1~{H}-indazole-5-carboxamide
著者Musil, D, Lehmann, M, Buchstaller, H.-P.
登録日2017-11-11
公開日2018-05-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
1E9G
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STRUCTURE OF INORGANIC PYROPHOSPHATASE
分子名称: INORGANIC PYROPHOSPHATASE, MANGANESE (II) ION, PHOSPHATE ION
著者Heikinheimo, P, Tuominen, V, Ahonen, A.-K, Teplyakov, A, Cooperman, B.S, Baykov, A.A, Lahti, R, Goldman, A.
登録日2000-10-12
公開日2001-03-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Toward a Quantum-Mechanical Description of Metal-Assisted Phosphoryl Transfer in Pyrophosphatase
Proc.Natl.Acad.Sci.USA, 98, 2001
1GNR
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BU of 1gnr by Molmil
X-RAY CRYSTAL STRUCTURE ANALYSIS OF THE CATALYTIC DOMAIN OF THE ONCOGENE PRODUCT P21H-RAS COMPLEXED WITH CAGED GTP AND MANT DGPPNHP
分子名称: C-H-RAS P21 PROTEIN, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION
著者Scheidig, A, Franken, S.M, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Pai, E.F, Goody, R.S.
登録日1995-05-11
公開日1995-07-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献X-ray crystal structure analysis of the catalytic domain of the oncogene product p21H-ras complexed with caged GTP and mant dGppNHp.
J.Mol.Biol., 253, 1995
5F7B
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BU of 5f7b by Molmil
Resting state structure of CuNiR form Alcaligenes faecalis determined at 293 K
分子名称: COPPER (II) ION, Copper-containing nitrite reductase
著者Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E.
登録日2015-12-07
公開日2016-03-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
2V2J
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BU of 2v2j by Molmil
Wild type recombinant horse spleen apoferritin cocrystallized with haemin in basic conditions
分子名称: CADMIUM ION, FERRITIN LIGHT CHAIN, GLYCEROL, ...
著者De Val, N, Declercq, J.P.
登録日2007-06-06
公開日2008-06-24
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Structural Analysis of Haemin Demetallation by L-Chain Apoferritins
J.Inorg.Biochem., 112, 2012
6JIP
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Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT6
分子名称: DNA (5'-D(*TP*TP*TP*TP*T)-3'), PENTAETHYLENE GLYCOL, SP_0782
著者Fang, X, Lu, G, Li, S, Zhu, J, Yang, Y, Gong, P.
登録日2019-02-22
公開日2019-11-27
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.659 Å)
主引用文献Structural insight into the length-dependent binding of ssDNA by SP_0782 from Streptococcus pneumoniae, reveals a divergence in the DNA-binding interface of PC4-like proteins.
Nucleic Acids Res., 48, 2020
4MWI
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BU of 4mwi by Molmil
Crystal structure of the human MLKL pseudokinase domain
分子名称: (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, GLYCEROL, Mixed lineage kinase domain-like protein
著者Czabotar, P.E, Murphy, J.M.
登録日2013-09-25
公開日2013-12-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Insights into the evolution of divergent nucleotide-binding mechanisms among pseudokinases revealed by crystal structures of human and mouse MLKL.
Biochem.J., 457, 2014
1E8Y
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Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
分子名称: PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT
著者Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L.
登録日2000-10-03
公開日2000-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
1GYH
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Structure of D158A Cellvibrio cellulosa alpha-L-arabinanase mutant
分子名称: ARABINAN ENDO-1,5-ALPHA-L-ARABINOSIDASE A, CHLORIDE ION
著者Nurizzo, D, Turkenburg, J.P, Charnock, S.J, Roberts, S.M, Dodson, E.J, McKie, V.A, Taylor, E.J, Gilbert, H.J, Davies, G.J.
登録日2002-04-23
公開日2002-08-23
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Cellovibrio Cellulosa Alpha-L-Arabinanase 43A Has a Novel Five-Blade Beta-Propeller Fold
Nat.Struct.Biol., 9, 2002
2IZM
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MS2-RNA HAIRPIN (C-10) COMPLEX
分子名称: 5'-R(*AP*CP*AP*UP*GP*CP*GP*GP*AP*UP *CP*AP*CP*CP*CP*AP*UP*GP*U)-3', Capsid protein
著者Helgstrand, C, Grahn, E, Moss, T, Stonehouse, N.J, Tars, K, Stockley, P.G, Liljas, L.
登録日2006-07-25
公開日2007-07-03
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Investigating the Structural Basis of Purine Specificity in the Structures of MS2 Coat Protein RNA Translational Operator Complexes
Nucleic Acids Res., 30, 2002
3D1E
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Crystal structure of E. coli sliding clamp (beta) bound to a polymerase II peptide
分子名称: DNA polymerase III subunit beta, decamer from polymerase II C-terminal
著者Georgescu, R.E, Yurieva, O, Seung-Sup, K, Kuriyan, J, Kong, X.-P, O'Donnell, M.
登録日2008-05-05
公開日2008-07-29
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of a small-molecule inhibitor of a DNA polymerase sliding clamp.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5WAV
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Fc AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Immunoglobulin gamma-1 heavy chain,Immunoglobulin gamma-1 heavy chain
著者Williams, S.P, Reid, R.A, Convery, M.A.
登録日2017-06-27
公開日2017-11-08
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery.
To Be Published
6FIC
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Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
分子名称: 3-azanyl-2-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-azanyl-1-[[2-[[3-methyl-6-[4-methyl-3-(methylsulfonyl-$l^{2}-azanyl)cyclohexa-1,3,5-trien-1-yl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-$l^{2}-azanyl]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-~{N}-[3-[[3-methyl-6-[4-methyl-3-(methylsulfonylamino)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]amino]-3-oxidanylidene-propyl]propanamide, Transcription initiation factor TFIID subunit 1
著者Mathea, S, Suh, J.L, Salah, E, Tallant, C, Siejka, P, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, James, L.I, Frye, S.V, Knapp, S.
登録日2018-01-17
公開日2018-01-31
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
To Be Published
1E8Z
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Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
分子名称: PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT, STAUROSPORINE
著者Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L.
登録日2000-10-03
公開日2000-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
1E90
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Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
分子名称: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT
著者Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L.
登録日2000-10-03
公開日2000-11-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000

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