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2WPD
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BU of 2wpd by Molmil
The Mg.ADP inhibited state of the yeast F1c10 ATP synthase
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE SUBUNIT 9, ...
著者Dautant, A, Velours, J, Giraud, M.-F.
登録日2009-08-05
公開日2010-07-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.432 Å)
主引用文献Crystal Structure of the Mg.Adp-Inhibited State of the Yeast F1C10-ATP Synthase.
J.Biol.Chem., 285, 2010
2WYU
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BU of 2wyu by Molmil
High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase apo-form
分子名称: ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE, GLYCEROL, SODIUM ION
著者Otero, J.M, Noel, A.J, Guardado-Calvo, P, Llamas-Saiz, A.L, van Raaij, M.J.
登録日2009-11-20
公開日2010-11-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
3NAY
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PDK1 in complex with inhibitor MP6
分子名称: 3-phosphoinositide-dependent protein kinase 1, 4-(2-cyclopropylethylidene)-9-(1H-pyrazol-4-yl)-6-{[(1R)-1,2,2-trimethylpropyl]amino}benzo[c][1,6]naphthyridin-1(4H)-one
著者Yan, Y, Munshi, S.K, Allison, T.
登録日2010-06-02
公開日2010-11-24
最終更新日2018-01-24
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Selective inhibition of PDK1 using an allosteric kinase inhibitor and RNAi impairs cancer cell migration and anchorage-independent growth of primary tumor lines
J.Biol.Chem., 2010
2WYW
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BU of 2wyw by Molmil
High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase NAD and triclosan-form
分子名称: ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Otero, J.M, Noel, A.J, Guardado-Calvo, P, Llamas-Saiz, A.L, van Raaij, M.J.
登録日2009-11-20
公開日2010-11-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
2WYV
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BU of 2wyv by Molmil
High resolution structure of Thermus thermophilus enoyl-acyl carrier protein reductase NAD-form
分子名称: ENOYL-[ACYL CARRIER PROTEIN] REDUCTASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION
著者Otero, J.M, Noel, A.J, Guardado-Calvo, P, Llamas-Saiz, A.L, van Raaij, M.J.
登録日2009-11-20
公開日2010-11-24
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献High-resolution structures of Thermus thermophilus enoyl-acyl carrier protein reductase in the apo form, in complex with NAD+ and in complex with NAD+ and triclosan.
Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun., 68, 2012
3NAX
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PDK1 in complex with inhibitor MP7
分子名称: 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1
著者Yan, Y, Munshi, S.K, Allison, T.
登録日2010-06-02
公開日2010-11-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Genetic and pharmacological inhibition of PDK1 in cancer cells: characterization of a selective allosteric kinase inhibitor.
J.Biol.Chem., 286, 2011
4N56
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Binary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant (Cs3C KlenTaq) with DNA
分子名称: 5'-D(*AP*AP*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3', DNA polymerase I, ...
著者Wu, E.Y.
登録日2013-10-09
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A Conservative Isoleucine to Leucine Mutation Causes Major Rearrangements and Cold Sensitivity in KlenTaq1 DNA Polymerase.
Biochemistry, 54, 2015
4N5S
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BU of 4n5s by Molmil
Ternary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant (Cs3C KlenTaq) with DNA and ddCTP
分子名称: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-D(*AP*A*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', ...
著者Wu, E.Y.
登録日2013-10-10
公開日2015-01-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献A Conservative Isoleucine to Leucine Mutation Causes Major Rearrangements and Cold Sensitivity in KlenTaq1 DNA Polymerase.
Biochemistry, 54, 2015
4PQP
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BU of 4pqp by Molmil
Crystal structure of human SNX14 PX domain in space group P43212
分子名称: GLYCEROL, Sorting nexin-14
著者Mas, C, Norwood, S, Bugarcic, A, Kinna, G, Leneva, N, Kovtun, O, Teasdale, R, Collins, B.
登録日2014-03-03
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural Basis for Different Phosphoinositide Specificities of the PX Domains of Sorting Nexins Regulating G-protein Signaling.
J.Biol.Chem., 289, 2014
1FI1
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FhuA in complex with lipopolysaccharide and rifamycin CGP4832
分子名称: 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, DIPHOSPHATE, ...
著者Ferguson, A.D, Koedding, J, Boes, C, Walker, G, Coulton, J.W, Diederichs, K, Braun, V, Welte, W.
登録日2000-08-03
公開日2001-08-29
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Active transport of an antibiotic rifamycin derivative by the outer-membrane protein FhuA.
Structure, 9, 2001
4PQO
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Structure of the human SNX14 PX domain in space group I41
分子名称: Sorting nexin-14
著者Mas, C, Norwood, S, Bugarcic, A, Kinna, G, Leneva, N, Kovtun, O, Teasdale, R, Collins, B.
登録日2014-03-03
公開日2014-09-03
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structural Basis for Different Phosphoinositide Specificities of the PX Domains of Sorting Nexins Regulating G-protein Signaling.
J.Biol.Chem., 289, 2014
4P2A
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BU of 4p2a by Molmil
Structure of mouse VPS26A bound to rat SNX27 PDZ domain
分子名称: MERCURY (II) ION, Sorting nexin-27, Vacuolar protein sorting-associated protein 26A
著者Clairfeuille, T, Gallon, M, Mas, C, Ghai, R, Teasdale, R, Cullen, P, Collins, B.
登録日2014-03-03
公開日2014-09-03
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A unique PDZ domain and arrestin-like fold interaction reveals mechanistic details of endocytic recycling by SNX27-retromer.
Proc.Natl.Acad.Sci.USA, 111, 2014
1R9N
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BU of 1r9n by Molmil
Crystal Structure of human dipeptidyl peptidase IV in complex with a decapeptide (tNPY) at 2.3 Ang. Resolution
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, Dipeptidyl peptidase IV, ...
著者Aertgeerts, K, Ye, S, Tennant, M.G, Collins, B, Rogers, J, Sang, B.-C, Skene, R, Webb, D.R, Prasad, G.S.
登録日2003-10-30
公開日2005-03-29
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of human dipeptidyl peptidase IV in complex with a decapeptide reveals details on substrate specificity and tetrahedral intermediate formation.
Protein Sci., 13, 2004
1RNC
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NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLEASE
分子名称: GUANOSINE-5'-MONOPHOSPHATE, RIBONUCLEASE A, SULFATE ION
著者Aguilar, C.F, Thomas, P.J, Mills, A, Moss, D.S, Palmer, R.A.
登録日1991-10-21
公開日1994-01-31
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Newly observed binding mode in pancreatic ribonuclease.
J.Mol.Biol., 224, 1992
1PPN
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STRUCTURE OF MONOCLINIC PAPAIN AT 1.60 ANGSTROMS RESOLUTION
分子名称: METHANOL, PAPAIN, UNKNOWN LIGAND
著者Pickersgill, R.W, Harris, G.W, Garman, E.
登録日1991-10-25
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Monoclinic Papain at 1.60 Angstroms Resolution
Acta Crystallogr.,Sect.B, 48, 1992
7JU8
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BU of 7ju8 by Molmil
X-ray structure of MMP-13 in Complex with 4-(1,2,3-thiadiazol-4-yl)pyridine
分子名称: 4-(1,2,3-thiadiazol-4-yl)pyridine, CALCIUM ION, Collagenase 3, ...
著者Farrow, N.A.
登録日2020-08-19
公開日2021-08-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Indole Inhibitors of MMP-13 for Arthritic Disorders
Acs Omega, 6, 2021
1RND
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BU of 1rnd by Molmil
NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLEASE
分子名称: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, RIBONUCLEASE A, SULFATE ION
著者Aguilar, C.F, Thomas, P.J, Mills, A, Moss, D.S, Palmer, R.A.
登録日1991-10-21
公開日1994-01-31
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Newly observed binding mode in pancreatic ribonuclease.
J.Mol.Biol., 224, 1992
7L12
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CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 14
分子名称: (5S)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3H,5H)-dione, 3C-like proteinase
著者Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S.
登録日2020-12-14
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
7L14
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CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 26
分子名称: 2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}benzonitrile, 3C-like proteinase
著者Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-12-14
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
1R9M
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BU of 1r9m by Molmil
Crystal Structure of Human Dipeptidyl Peptidase IV at 2.1 Ang. Resolution.
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, Dipeptidyl peptidase IV, ...
著者Aertgeerts, K, Ye, S, Tennant, M.G, Collins, B, Rogers, J, Sang, B.C, Skene, R.J, Webb, D.R, Prasad, G.S.
登録日2003-10-30
公開日2004-06-29
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of human dipeptidyl peptidase IV in complex with a decapeptide reveals details on substrate specificity and tetrahedral intermediate formation.
Protein Sci., 13, 2004
7L13
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CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 21
分子名称: (5S)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2H-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3H,5H)-dione, 3C-like proteinase
著者Deshmukh, M.G, Ippolito, J.A, Zhang, C.H, Jorgensen, W.L, Anderson, K.S.
登録日2020-12-14
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
7L10
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CRYSTAL STRUCTURE OF THE SARS-COV-2 (2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 4
分子名称: 2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile, 3C-like proteinase
著者Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-12-13
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
7L11
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CRYSTAL STRUCTURE OF THE SARS-COV-2(2019-NCOV) MAIN PROTEASE IN COMPLEX WITH COMPOUND 5
分子名称: 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile, 3C-like proteinase
著者Deshmukh, M.G, Ippolito, J.A, Stone, E.A, Jorgensen, W.L, Anderson, K.S.
登録日2020-12-14
公開日2021-03-03
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent Noncovalent Inhibitors of the Main Protease of SARS-CoV-2 from Molecular Sculpting of the Drug Perampanel Guided by Free Energy Perturbation Calculations.
Acs Cent.Sci., 7, 2021
1ROB
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STRUCTURE OF THE CRYSTALLINE COMPLEX OF CYTIDYLIC ACID (2'-CMP) WITH RIBONUCLEASE AT 1.6 ANGSTROMS RESOLUTION
分子名称: CYTIDINE-2'-MONOPHOSPHATE, RIBONUCLEASE A
著者Lisgarten, J.N, Palmer, R.A.
登録日1993-08-23
公開日1994-01-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the crystalline complex of cytidylic acid (2'-CMP) with ribonuclease at 1.6 A resolution. Conservation of solvent sites in RNase-A high-resolution structures.
Acta Crystallogr.,Sect.D, 49, 1993
1C0R
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COMPLEX OF VANCOMYCIN WITH D-LACTIC ACID
分子名称: CHLORIDE ION, LACTIC ACID, VANCOMYCIN, ...
著者Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H.
登録日1999-07-20
公開日1999-07-30
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Vancomycin Binding to Low-Affinity Ligands: Delineating a Minimum Set of Interactions Necessary for High-Affinity Binding.
J.Med.Chem., 42, 1999

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