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3H1C
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BU of 3h1c by Molmil
Crystal structure of Polynucleotide Phosphorylase (PNPase) core bound to RNase E and Tungstate
分子名称: Polyribonucleotide nucleotidyltransferase, Ribonuclease E, TUNGSTATE(VI)ION
著者Nurmohamed, S.
登録日2009-04-11
公開日2009-05-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (3.57 Å)
主引用文献Crystal structure of Escherichia coli polynucleotide phosphorylase core bound to RNase E, RNA and manganese: implications for catalytic mechanism and RNA degradosome assembly
J.Mol.Biol., 389, 2009
3GME
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BU of 3gme by Molmil
Crystal Structure of Polynucleotide Phosphorylase in complex with RNase E and manganese
分子名称: MANGANESE (II) ION, Polyribonucleotide nucleotidyltransferase, Ribonuclease E
著者Nurmohamed, S, Luisi, B.L.
登録日2009-03-13
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of Escherichia coli polynucleotide phosphorylase core bound to RNase E, RNA and manganese: implications for catalytic mechanism and RNA degradosome assembly.
J.Mol.Biol., 389, 2009
3F8S
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BU of 3f8s by Molmil
Crystal structure of dipeptidyl peptidase IV in complex with inhibitor
分子名称: 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ammirati, M.J, Liu, S, Piotrowski, D.W.
登録日2008-11-13
公開日2009-06-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献(3,3-Difluoro-pyrrolidin-1-yl)-[(2S,4S)-(4-(4-pyrimidin-2-yl-piperazin-1-yl)-pyrrolidin-2-yl]-methanone: a potent, selective, orally active dipeptidyl peptidase IV inhibitor.
Bioorg.Med.Chem.Lett., 19, 2009
3GLL
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BU of 3gll by Molmil
Crystal structure of Polynucleotide Phosphorylase (PNPase) core
分子名称: Polyribonucleotide nucleotidyltransferase
著者Nurmohamed, S, Luisi, B.L.
登録日2009-03-12
公開日2009-06-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of Escherichia coli polynucleotide phosphorylase core bound to RNase E, RNA and manganese: implications for catalytic mechanism and RNA degradosome assembly.
J.Mol.Biol., 389, 2009
3T8X
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BU of 3t8x by Molmil
Crystal structure of human CD1b in complex with synthetic antigenic diacylsulfoglycolipid SGL12 and endogenous spacer
分子名称: 2-O-sulfo-alpha-D-glucopyranosyl 2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Garcia-Alles, L.F, Maveyraud, L, Mourey, L, Julien, S.
登録日2011-08-02
公開日2011-10-26
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural reorganization of the human CD1b Antigen-binding groove for presentation of mycobacterial sulfoglycolipids
To be Published
7L12
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BU of 7l12 by Molmil
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
7L13
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BU of 7l13 by Molmil
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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BU of 7l10 by Molmil
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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BU of 7l11 by Molmil
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
1ODF
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BU of 1odf by Molmil
Structure of YGR205w protein.
分子名称: GLYCEROL, HYPOTHETICAL 33.3 KDA PROTEIN IN ADE3-SER2 INTERGENIC REGION, SULFATE ION
著者Li De La Sierra-Gallay, I, Van Tilbeurgh, H.
登録日2003-02-19
公開日2003-12-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of the Ygr205W Protein from Saccharomyces Cerevisiae: Close Structural Resemblance to E.Coli Pantothenate Kinase
Proteins: Struct.,Funct., Genet., 54, 2004
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
1QFF
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BU of 1qff by Molmil
E. COLI FERRIC HYDROXAMATE UPTAKE RECEPTOR (FHUA) IN COMPLEX WITH BOUND FERRICHROME-IRON
分子名称: 2-AMINO-VINYL-PHOSPHATE, 3-HYDROXY-TETRADECANOIC ACID, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ...
著者Ferguson, A.D, Hofmann, E, Coulton, J.W, Diederichs, K, Welte, W.
登録日1999-04-10
公開日2000-07-26
最終更新日2022-12-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献A conserved structural motif for lipopolysaccharide recognition by procaryotic and eucaryotic proteins.
Structure Fold.Des., 8, 2000
1QD8
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BU of 1qd8 by Molmil
COMPLEX OF VANCOMYCIN WITH N-ACETYL GLYCINE
分子名称: ACETYLAMINO-ACETIC ACID, CHLORIDE ION, VANCOMYCIN, ...
著者Loll, P.J, Kaplan, J, Selinsky, B, Axelsen, P.H.
登録日1999-07-15
公開日1999-08-16
最終更新日2023-12-27
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
1DSI
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BU of 1dsi by Molmil
Solution structure of a duocarmycin sa-indole-alkylated dna dupleX
分子名称: 4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-8-METHYL-3,6,7,8-TETRAHYDRO-3,6-DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER, DNA (5'-D(*GP*AP*CP*TP*AP*AP*TP*TP*GP*AP*C)-3'), DNA (5'-D(*GP*TP*CP*AP*AP*TP*TP*AP*GP*TP*C)-3')
著者Schnell, J.R, Ketchem, R.R, Boger, D.L, Chazin, W.J.
登録日1998-07-29
公開日1998-08-05
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Binding-Induced Activation of DNA Alkylation by Duocarmycin SA: Insights from the Structure of an Indole Derivative-DNA Adduct
J.Am.Chem.Soc., 121, 1999
2XCI
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BU of 2xci by Molmil
Membrane-embedded monofunctional glycosyltransferase WaaA of Aquifex aeolicus, substrate-free form
分子名称: 3-DEOXY-D-MANNO-2-OCTULOSONIC ACID TRANSFERASE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Schmidt, H, Hansen, G, Hilgenfeld, R, Mamat, U, Mesters, J.R.
登録日2010-04-26
公開日2011-05-11
最終更新日2019-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Mechanistic Analysis of the Membrane-Embedded Glycosyltransferase Waaa Required for Lipopolysaccharide Synthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
2XCU
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BU of 2xcu by Molmil
Membrane-embedded monofunctional glycosyltransferase WaaA of Aquifex aeolicus, complex with CMP
分子名称: 3-DEOXY-D-MANNO-2-OCTULOSONIC ACID TRANSFERASE, BETA-MERCAPTOETHANOL, CHLORIDE ION, ...
著者Schmidt, H, Hansen, G, Hilgenfeld, R, Mamat, U, Mesters, J.R.
登録日2010-04-26
公開日2011-05-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structural and Mechanistic Analysis of the Membrane-Embedded Glycosyltransferase Waaa Required for Lipopolysaccharide Synthesis.
Proc.Natl.Acad.Sci.USA, 109, 2012
4G1M
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BU of 4g1m by Molmil
Re-refinement of alpha V beta 3 structure
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, CALCIUM ION, ...
著者Springer, T.A, Mi, L, Zhu, J.
登録日2012-07-10
公開日2012-12-12
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Alpha V Beta 3 Integrin Crystal Structures and their Functional Implications
Biochemistry, 51, 2012
1PPN
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BU of 1ppn by Molmil
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
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
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
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
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
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

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