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PDB: 2998 件
1PEN
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ALPHA-CONOTOXIN PNI1
分子名称: ALPHA-CONOTOXIN PNIA
著者Hu, S.-H, Gehrmann, J, Guddat, L.W, Alewood, P.F, Craik, D.J, Martin, J.L.
登録日1996-01-29
公開日1997-04-21
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The 1.1 A crystal structure of the neuronal acetylcholine receptor antagonist, alpha-conotoxin PnIA from Conus pennaceus.
Structure, 4, 1996
4GAO
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DCNL complex with N-terminally acetylated NEDD8 E2 peptide
分子名称: BROMIDE ION, DCN1-like protein 2, NEDD8-conjugating enzyme Ubc12
著者Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A.
登録日2012-07-25
公開日2012-11-28
最終更新日2013-01-30
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Structural Conservation of Distinctive N-terminal Acetylation-Dependent Interactions across a Family of Mammalian NEDD8 Ligation Enzymes.
Structure, 21, 2013
2VTH
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H-pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design
分子名称: 5-hydroxynaphthalene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2, GLYCEROL
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VTP
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VX8
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Vamp7 longin domain Hrb peptide complex
分子名称: CHLORIDE ION, NUCLEOPORIN-LIKE PROTEIN RIP, VESICLE-ASSOCIATED MEMBRANE PROTEIN 7
著者Evans, P.R, Owen, D.J, Luzio, J.P.
登録日2008-07-01
公開日2008-09-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular Basis for the Sorting of the Snare Vamp7 Into Endocytic Clathrin-Coated Vesicles by the Arfgap Hrb.
Cell(Cambridge,Mass.), 134, 2008
2W8J
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SPT with PLP-ser
分子名称: SERINE PALMITOYLTRANSFERASE, [3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-SERINE
著者Carter, L.G, Raman, M.C.C, Johnson, K.A, Campopiano, D.J, Naismith, J.H.
登録日2009-01-16
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The External-Aldimine Form of Serine Palmitoyltranserase; Structural, Kinetic and Spectroscopic Analysis of the Wild-Type Enzyme and Hsan1 Mutant Mimics.
J.Biol.Chem., 284, 2009
2W91
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Structure of a Streptococcus pneumoniae family 85 glycoside hydrolase, Endo-D.
分子名称: ENDO-BETA-N-ACETYLGLUCOSAMINIDASE D, PENTAETHYLENE GLYCOL
著者Abbott, D.W, Macauley, M.S, Vocadlo, D.J, Boraston, A.B.
登録日2009-01-21
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Streptococcus Pneumoniae Endohexosaminidase D, Structural and Mechanistic Insight Into Substrate-Assisted Catalysis in Family 85 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
4G9J
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Protein Ser/Thr phosphatase-1 in complex with cell-permeable peptide
分子名称: MANGANESE (II) ION, Serine/threonine-protein phosphatase PP1-alpha catalytic subunit, synthetic peptide
著者Sukackaite, R, Chatterjee, J, Beullens, M, Bollen, M, Koehn, M, Hart, D.J.
登録日2012-07-24
公開日2012-09-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Development of a Peptide that Selectively Activates Protein Phosphatase-1 in Living Cells.
Angew.Chem.Int.Ed.Engl., 51, 2012
2W0D
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Does a Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? A Case Study of Metalloproteinases.
分子名称: ACETATE ION, CALCIUM ION, CHLORIDE ION, ...
著者Isaksson, J, Nystrom, S, Derbyshire, D.J, Wallberg, H, Agback, T, Kovacs, H, Bertini, I, Felli, I.C.
登録日2008-08-13
公開日2009-03-03
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Does a Fast Nuclear Magnetic Resonance Spectroscopy- and X-Ray Crystallography Hybrid Approach Provide Reliable Structural Information of Ligand-Protein Complexes? a Case Study of Metalloproteinases.
J.Med.Chem., 52, 2009
7TZJ
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SARS CoV-2 PLpro in complex with inhibitor 3k
分子名称: DIMETHYL SULFOXIDE, N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Papain-like protease, ...
著者Calleja, D.J, Klemm, T, Lechtenberg, B.C, Kuchel, N.W, Lessene, G, Komander, D.
登録日2022-02-15
公開日2022-03-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Insights Into Drug Repurposing, as Well as Specificity and Compound Properties of Piperidine-Based SARS-CoV-2 PLpro Inhibitors.
Front Chem, 10, 2022
2W8T
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SPT with PLP, N100C
分子名称: PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE
著者Raman, M.C.C, Johnson, K.A, Campopiano, D.J, Naismith, J.H.
登録日2009-01-19
公開日2009-01-27
最終更新日2015-11-18
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The External-Aldimine Form of Serine Palmitoyltranserase; Structural, Kinetic and Spectroscopic Analysis of the Wild-Type Enzyme and Hsan1 Mutant Mimics.
J.Biol.Chem., 284, 2009
6Q4E
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BU of 6q4e by Molmil
CDK2 in complex with FragLite33
分子名称: 6-iodanyl-7~{H}-purin-2-amine, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
6Q4K
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CDK2 in complex with FragLite38
分子名称: (~{E})-3-[3-[(4-chlorophenyl)carbamoyl]phenyl]prop-2-enoic acid, 1,2-ETHANEDIOL, Cyclin-dependent kinase 2
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
4WQ2
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Human calpain PEF(S) with (Z)-3-(6-bromondol-3-yl)-2-mercaptoacrylic acid bound
分子名称: (2Z)-3-(6-bromo-1H-indol-3-yl)-2-sulfanylprop-2-enoic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Adams, S.E, Rizkallah, P.J, Miller, D.J, Hallett, M.B, Allemann, R.K.
登録日2014-10-21
公開日2015-09-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Conformationally restricted calpain inhibitors.
Chem Sci, 6, 2015
6NIZ
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BU of 6niz by Molmil
Atomic structure of a fluorescent Ag8 cluster templated by a multistranded DNA scaffold
分子名称: DNA (5'-D(*AP*AP*CP*CP*CP*CP)-3'), SILVER ION
著者Lieberman, R.L, Huard, D.J.E.
登録日2019-01-02
公開日2019-01-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (0.93 Å)
主引用文献Atomic Structure of a Fluorescent Ag8Cluster Templated by a Multistranded DNA Scaffold.
J.Am.Chem.Soc., 141, 2019
1PT9
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Crystal Structure Analysis of the DIII Component of Transhydrogenase with a Thio-Nicotinamide Nucleotide Analogue
分子名称: 7-THIONICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, GLYCEROL, NAD(P) transhydrogenase, ...
著者Singh, A, Venning, J.D, Quirk, P.G, van Boxel, G.I, Rodrigues, D.J, White, S.A, Jackson, J.B.
登録日2003-06-23
公開日2003-10-07
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Interactions between transhydrogenase and thio-nicotinamide analogues of NAD(H) and NADP(H) underline the importance of nucleotide conformational changes in coupling to proton translocation
J.Biol.Chem., 278, 2003
2VTM
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Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: CELL DIVISION PROTEIN KINASE 2, PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-15
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
2VU3
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BU of 2vu3 by Molmil
Identification of N-(4-piperidinyl)-4-(2,6-dichlorobenzoylamino)-1H- pyrazole-3-carboxamide (AT7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
分子名称: 4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide, CELL DIVISION PROTEIN KINASE 2
著者Wyatt, P.G, Woodhead, A.J, Boulstridge, J.A, Berdini, V, Carr, M.G, Cross, D.M, Danillon, D, Davis, D.J, Devine, L.A, Early, T.R, Feltell, R.E, Lewis, E.J, McMenamin, R.L, Navarro, E.F, O'Brien, M.A, O'Reilly, M, Reule, M, Saxty, G, Seavers, L.C.A, Smith, D, Squires, M.S, Trewartha, G, Walker, M.T, Woolford, A.J.
登録日2008-05-20
公開日2008-08-05
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Identification of N-(4-Piperidinyl)-4-(2,6-Dichlorobenzoylamino)-1H-Pyrazole-3-Carboxamide (at7519), a Novel Cyclin Dependent Kinase Inhibitor Using Fragment-Based X-Ray Crystallography and Structure Based Drug Design.
J.Med.Chem., 51, 2008
1Q71
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The structure of microcin J25 is a threaded sidechain-to-backbone ring structure and not a head-to-tail cyclized backbone
分子名称: microcin J25
著者Rosengren, K.J, Clark, R, Daly, N.L, Goransson, U, Jones, A, Craik, D.J.
登録日2003-08-14
公開日2003-12-16
最終更新日2012-12-12
実験手法SOLUTION NMR
主引用文献Microcin J25 has a threaded sidechain-to-backbone ring structure and not a head-to-tail cyclized backbone.
J.Am.Chem.Soc., 125, 2003
6QL8
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Cathepsin-K in complex with MIV-711
分子名称: Cathepsin K, NITRATE ION, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
著者Derbyshire, D.J.
登録日2019-01-31
公開日2020-02-19
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K.
To Be Published
2W92
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Structure of a Streptococcus pneumoniae family 85 glycoside hydrolase, Endo-D, in complex with NAG-thiazoline.
分子名称: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ENDO-BETA-N-ACETYLGLUCOSAMINIDASE D, PENTAETHYLENE GLYCOL
著者Abbott, D.W, Macauley, M.S, Vocadlo, D.J, Boraston, A.B.
登録日2009-01-21
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Streptococcus Pneumoniae Endohexosaminidase D, Structural and Mechanistic Insight Into Substrate-Assisted Catalysis in Family 85 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
2W8U
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SPT with PLP, N100Y
分子名称: PYRIDOXAL-5'-PHOSPHATE, SERINE PALMITOYLTRANSFERASE
著者Raman, M.C.C, Johnson, K.A, Campopiano, D.J, Naismith, J.H.
登録日2009-01-19
公開日2009-01-27
最終更新日2015-11-18
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献The External-Aldimine Form of Serine Palmitoyltranserase; Structural, Kinetic and Spectroscopic Analysis of the Wild-Type Enzyme and Hsan1 Mutant Mimics.
J.Biol.Chem., 284, 2009
1QUM
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BU of 1qum by Molmil
CRYSTAL STRUCTURE OF ESCHERICHIA COLI ENDONUCLEASE IV IN COMPLEX WITH DAMAGED DNA
分子名称: 5'-D(*(3DR)P*CP*GP*AP*CP*GP*A)-3', 5'-D(*CP*GP*TP*CP*C)-3', 5'-D(*TP*CP*GP*TP*CP*GP*GP*GP*GP*AP*CP*G)-3', ...
著者Hosfield, D.J, Guan, Y, Haas, B.J, Cunningham, R.P, Tainer, J.A.
登録日1999-07-01
公開日1999-08-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure of the DNA repair enzyme endonuclease IV and its DNA complex: double-nucleotide flipping at abasic sites and three-metal-ion catalysis.
Cell(Cambridge,Mass.), 98, 1999
2WFO
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Crystal structure of Machupo virus envelope glycoprotein GP1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCOPROTEIN 1
著者Bowden, T.A, Crispin, M, Graham, S.C, Harvey, D.J, Grimes, J.M, Jones, E.Y, Stuart, D.I.
登録日2009-04-09
公開日2009-06-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Unusual Molecular Architecture of the Machupo Virus Attachment Glycoprotein.
J.Virol., 83, 2009
1QIA
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CRYSTAL STRUCTURE OF STROMELYSIN CATALYTIC DOMAIN
分子名称: CALCIUM ION, STROMELYSIN-1, ZINC ION
著者Williams, M.G, Ye, Q.-Z, Molina, F, Johnson, L.L, Ortwine, D.F, Pavlovsky, A.G, Rubin, J.R, Skeean, R.W, White, A.D, Blundell, T.L, Humblet, C, Hupe, D.J, Dhanaraj, V.
登録日1999-06-11
公開日2003-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of human stromelysin catalytic domain complexed with nonpeptide inhibitors: implications for inhibitor selectivity
Protein Sci., 8, 1999

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