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PDB: 45955 results

7ZRR
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Crystal structure of human Urokinase-type plasminogen activator in complex with bicycle peptide inhibitor UK965
Descriptor: 1,2-ETHANEDIOL, 1,3,5-tris(bromomethyl)benzene, AMINO GROUP, ...
Authors:Caregnato, A, Angela, P, Mazzoccato, Y, Frasson, N, Angelini, A, Cendron, L.
Deposit date:2022-05-05
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: 1,4-DIETHYLENE DIOXIDE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, EPSIN
Authors:Ford, M.G.J, McMahon, H.T, Evans, P.R.
Deposit date:2002-06-12
Release date:2002-10-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 1,3,5-tris(bromomethyl)benzene, DI(HYDROXYETHYL)ETHER, ...
Authors:Caregnato, A, Angela, P, Mazzoccato, Y, Frasson, N, Angelini, A, Cendron, L.
Deposit date:2022-05-05
Release date:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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
Descriptor: 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], ...
Authors:Chitnumsub, P, Jaruwat, A, Leartsakulpanich, U, Schwertz, G, Diederich, F.
Deposit date:2017-09-22
Release date:2018-09-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:to be published
to be published
2V2X
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T cell cross-reactivity and conformational changes during TCR engagement.
Descriptor: BETA-2 MICROGLOBULIN, HIV P17, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
Authors: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.
Deposit date:2007-06-07
Release date:2007-11-06
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: CHLORIDE ION, Myelin P2 protein, PALMITIC ACID
Authors:Laulumaa, S, Lehtimaki, M, Kursula, P.
Deposit date:2017-11-03
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.588 Å)
Cite: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
Descriptor: Myelin P2 protein, PALMITIC ACID
Authors:Laulumaa, S, Lehtimaki, M, Kursula, P.
Deposit date:2017-11-03
Release date:2018-07-11
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT
Authors:Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L.
Deposit date:2000-10-03
Release date:2000-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
6ARX
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BU of 6arx by Molmil
Crystal structure of an insecticide-resistant acetylcholinesterase mutant from the malaria vector Anopheles gambiae in the ligand-free state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase, CHLORIDE ION, ...
Authors:Cheung, J, Mahmood, A, Kalathur, R, Lixuan, L, Carlier, P.R.
Deposit date:2017-08-23
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.302 Å)
Cite: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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BU of 6jhf by Molmil
Crystal structure of apo Pullulanase from Paenibacillus barengoltzii
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Wu, S.W, Yang, S.Q, Qin, Z, You, X, Huang, P, Jiang, Z.Q.
Deposit date:2019-02-18
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.71 Å)
Cite: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
Descriptor: 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
Authors:Musil, D, Lehmann, M, Buchstaller, H.-P.
Deposit date:2017-11-11
Release date:2018-05-30
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
1E9G
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BU of 1e9g by Molmil
STRUCTURE OF INORGANIC PYROPHOSPHATASE
Descriptor: INORGANIC PYROPHOSPHATASE, MANGANESE (II) ION, PHOSPHATE ION
Authors:Heikinheimo, P, Tuominen, V, Ahonen, A.-K, Teplyakov, A, Cooperman, B.S, Baykov, A.A, Lahti, R, Goldman, A.
Deposit date:2000-10-12
Release date:2001-03-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite: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
Descriptor: C-H-RAS P21 PROTEIN, GUANOSINE 5'-TRIPHOSPHATE P3-[1-(2-NITROPHENYL)ETHYL ESTER], MAGNESIUM ION
Authors:Scheidig, A, Franken, S.M, Corrie, J.E.T, Reid, G.P, Wittinghofer, A, Pai, E.F, Goody, R.S.
Deposit date:1995-05-11
Release date:1995-07-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite: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
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase
Authors: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.
Deposit date:2015-12-07
Release date:2016-03-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.56 Å)
Cite: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
Descriptor: CADMIUM ION, FERRITIN LIGHT CHAIN, GLYCEROL, ...
Authors:De Val, N, Declercq, J.P.
Deposit date:2007-06-06
Release date:2008-06-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Structural Analysis of Haemin Demetallation by L-Chain Apoferritins
J.Inorg.Biochem., 112, 2012
6JIP
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BU of 6jip by Molmil
Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT6
Descriptor: DNA (5'-D(*TP*TP*TP*TP*T)-3'), PENTAETHYLENE GLYCOL, SP_0782
Authors:Fang, X, Lu, G, Li, S, Zhu, J, Yang, Y, Gong, P.
Deposit date:2019-02-22
Release date:2019-11-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.659 Å)
Cite: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
Descriptor: (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
Authors:Czabotar, P.E, Murphy, J.M.
Deposit date:2013-09-25
Release date:2013-12-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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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BU of 1e8y by Molmil
Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
Descriptor: PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT
Authors:Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L.
Deposit date:2000-10-03
Release date:2000-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000
1GYH
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BU of 1gyh by Molmil
Structure of D158A Cellvibrio cellulosa alpha-L-arabinanase mutant
Descriptor: ARABINAN ENDO-1,5-ALPHA-L-ARABINOSIDASE A, CHLORIDE ION
Authors: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.
Deposit date:2002-04-23
Release date:2002-08-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Cellovibrio Cellulosa Alpha-L-Arabinanase 43A Has a Novel Five-Blade Beta-Propeller Fold
Nat.Struct.Biol., 9, 2002
2IZM
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BU of 2izm by Molmil
MS2-RNA HAIRPIN (C-10) COMPLEX
Descriptor: 5'-R(*AP*CP*AP*UP*GP*CP*GP*GP*AP*UP *CP*AP*CP*CP*CP*AP*UP*GP*U)-3', Capsid protein
Authors:Helgstrand, C, Grahn, E, Moss, T, Stonehouse, N.J, Tars, K, Stockley, P.G, Liljas, L.
Deposit date:2006-07-25
Release date:2007-07-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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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BU of 3d1e by Molmil
Crystal structure of E. coli sliding clamp (beta) bound to a polymerase II peptide
Descriptor: DNA polymerase III subunit beta, decamer from polymerase II C-terminal
Authors:Georgescu, R.E, Yurieva, O, Seung-Sup, K, Kuriyan, J, Kong, X.-P, O'Donnell, M.
Deposit date:2008-05-05
Release date:2008-07-29
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of a small-molecule inhibitor of a DNA polymerase sliding clamp.
Proc.Natl.Acad.Sci.Usa, 105, 2008
5WAV
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BU of 5wav by Molmil
Fc AbVance: Increasing our knowledge of antibody structural space to enable faster and better decision-making in antibody drug discovery.
Descriptor: 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
Authors:Williams, S.P, Reid, R.A, Convery, M.A.
Deposit date:2017-06-27
Release date:2017-11-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: 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
Authors: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.
Deposit date:2018-01-17
Release date:2018-01-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Bivalent Inhibitor UNC4512 Bound to the TAF1 Bromodomain Tandem
To Be Published
1E8Z
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BU of 1e8z by Molmil
Structure determinants of phosphoinositide 3-kinase inhibition by wortmannin, LY294002, quercetin, myricetin and staurosporine
Descriptor: PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT, STAUROSPORINE
Authors:Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L.
Deposit date:2000-10-03
Release date:2000-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT
Authors:Walker, E.H, Pacold, M.E, Perisic, O, Stephens, L, Hawkins, P.T, Wymann, M.P, Williams, R.L.
Deposit date:2000-10-03
Release date:2000-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Determinations of Phosphoinositide 3-Kinase Inhibition by Wortmannin, Ly294002, Quercetin, Myricetin and Staurosporine
Mol.Cell, 6, 2000

224004

数据于2024-08-21公开中

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