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6ZQH
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BU of 6zqh by Molmil
Yeast Uba1 in complex with ubiquitin
分子名称: BETA-MERCAPTOETHANOL, GLYCEROL, TETRAETHYLENE GLYCOL, ...
著者Misra, M, Schindelin, H.
登録日2020-07-09
公開日2020-11-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.032 Å)
主引用文献Development of ADPribosyl Ubiquitin Analogues to Study Enzymes Involved in Legionella Infection.
Chemistry, 27, 2021
4K4R
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BU of 4k4r by Molmil
TL-3 inhibited Trp6Ala HIV Protease with 1-bromo-2-napthoic acid bound in exosite
分子名称: 1-bromonaphthalene-2-carboxylic acid, BROMIDE ION, DIMETHYL SULFOXIDE, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2013-04-12
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
4K4P
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BU of 4k4p by Molmil
TL-3 inhibited Trp6Ala HIV Protease
分子名称: HIV-1 protease, NITRATE ION, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
著者Tiefenbrunn, T, Stout, C.D.
登録日2013-04-12
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
4K4Q
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BU of 4k4q by Molmil
TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site
分子名称: 3-bromo-2,6-dimethoxybenzoic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
著者Tiefenbrunn, T, Stout, C.D.
登録日2013-04-12
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease.
Chem.Biol.Drug Des., 83, 2014
3MWU
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BU of 3mwu by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor RM-1-95
分子名称: 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-05-06
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
3NCG
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BU of 3ncg by Molmil
Activated Calcium-Dependent Protein Kinase 1 from Cryptosporidium parvum (CpCDPK1) in complex with bumped kinase inhibitor NM-PP1
分子名称: 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-06-04
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
3N51
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BU of 3n51 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor RM-1-95
分子名称: 1,2-ETHANEDIOL, 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2010-05-24
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery of Potent and Selective Inhibitors of Calcium-Dependent Protein Kinase 1 (CDPK1) from C. parvum and T. gondii.
ACS Med Chem Lett, 1, 2010
1E9R
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BU of 1e9r by Molmil
Bacterial conjugative coupling protein TrwBdeltaN70. Trigonal form in complex with sulphate.
分子名称: CONJUGAL TRANSFER PROTEIN TRWB, SULFATE ION
著者Gomis-Rueth, F.X, Moncalian, G, Cabezon, E, de la Cruz, F, Coll, M.
登録日2000-10-26
公開日2001-02-06
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The Bacterial Conjugation Protein Trwb Resembles Ring Helicases and F1-ATPase
Nature, 409, 2001
1E9S
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BU of 1e9s by Molmil
Bacterial conjugative coupling protein TrwBdeltaN70. Unbound monoclinic form.
分子名称: CONJUGAL TRANSFER PROTEIN TRWB
著者Gomis-Rueth, F.X, Moncalian, G, Cabezon, E, de la Cruz, F, Coll, M.
登録日2000-10-26
公開日2001-02-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The Bacterial Conjugation Protein Trwb Resembles Ring Helicases and F1-ATPase
Nature, 409, 2001
2HRM
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BU of 2hrm by Molmil
Crystal structure of dUTPase complexed with substrate analogue methylene-dUTP
分子名称: 1,2-ETHANEDIOL, 2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE, Deoxyuridine 5'-triphosphate nucleotidohydrolase
著者Barabas, O, Kovari, J, Tapai, R, Vertessy, B.G.
登録日2006-07-20
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Methylene substitution at the alpha-beta bridging position within the phosphate chain of dUDP profoundly perturbs ligand accommodation into the dUTPase active site.
Proteins, 71, 2008
467D
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BU of 467d by Molmil
The structure of a decamer forming a four-way junction
分子名称: DNA (5'-D(*CP*CP*GP*GP*GP*AP*CP*CP*GP*G)-3')
著者Ortiz-Lombardia, M, Coll, M.
登録日1999-04-22
公開日2000-04-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.16 Å)
主引用文献Crystal structure of a DNA Holliday junction
Nat.Struct.Biol., 6, 1999
2HR6
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BU of 2hr6 by Molmil
Crystal structure of dUTPase in complex with substrate analogue dUDP and manganese
分子名称: 1,2-ETHANEDIOL, DEOXYURIDINE-5'-DIPHOSPHATE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ...
著者Barabas, O, Kovari, J, Tapai, R, Vertessy, B.G.
登録日2006-07-19
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Methylene substitution at the alpha-beta bridging position within the phosphate chain of dUDP profoundly perturbs ligand accommodation into the dUTPase active site.
Proteins, 71, 2008
4DE7
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BU of 4de7 by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mg2+ and uridine-diphosphate (UDP)
分子名称: GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS), GLYCEROL, URIDINE-5'-DIPHOSPHATE
著者Albesa-Jove, D, Urresti, S, van der Woerd, M, Guerin, M.E.
登録日2012-01-20
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria.
J.Biol.Chem., 287, 2012
4DEC
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BU of 4dec by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate (UDP) and phosphoglyceric acid (PGA)
分子名称: 3-PHOSPHOGLYCERIC ACID, GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS), GLYCEROL, ...
著者Albesa-Jove, D, Urresti, S, van der Woerd, M, Guerin, M.E.
登録日2012-01-20
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria.
J.Biol.Chem., 287, 2012
4DDZ
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BU of 4ddz by Molmil
Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis
分子名称: GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS), GLYCEROL
著者Albesa-Jove, D, Urresti, S, Gest, P.M, van der Woerd, M, Jackson, M, Guerin, M.E.
登録日2012-01-19
公開日2012-06-06
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria.
J.Biol.Chem., 287, 2012
1HGZ
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BU of 1hgz by Molmil
Filamentous Bacteriophage PH75
分子名称: PH75 INOVIRUS MAJOR COAT PROTEIN
著者Pederson, D.M, Welsh, L.C, Marvin, D.A, Sampson, M, Perham, R.N, Yu, M, Slater, M.R.
登録日2000-12-17
公開日2001-06-01
最終更新日2024-02-14
実験手法FIBER DIFFRACTION (2.4 Å)
主引用文献The Protein Capsid of Filamentous Bacteriophage Ph75 from Thermus Thermophilus
J.Mol.Biol., 309, 2001
1H21
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BU of 1h21 by Molmil
A novel iron centre in the split-Soret cytochrome c from Desulfovibrio desulfuricans ATCC 27774
分子名称: HEME C, SPLIT-SORET CYTOCHROME C
著者Abreu, I.A, Lourenco, A.I, Xavier, A.V, Legall, J, Coelho, A.V, Matias, P.M, Pinto, D.M, Carrondo, M.A, Teixeira, M, Saraiva, L.M.
登録日2002-07-30
公開日2003-02-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A Novel Iron Centre in the Split-Soret Cytochrome C from Desulfovibrio Desulfuricans Atcc 27774
J.Biol.Inorg.Chem., 8, 2003
1HH0
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BU of 1hh0 by Molmil
Filamentous Bacteriophage PH75
分子名称: PH75 INOVIRUS MAJOR COAT PROTEIN
著者Pederson, D.M, Welsh, L.C, Marvin, D.A, Sampson, M, Perham, R.N, Yu, M, Slater, M.R.
登録日2000-12-17
公開日2001-06-01
最終更新日2024-02-14
実験手法FIBER DIFFRACTION (2.4 Å)
主引用文献The Protein Capsid of Filamentous Bacteriophage Ph75 from Thermus Thermophilus
J.Mol.Biol., 309, 2001
1HGV
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BU of 1hgv by Molmil
Filamentous Bacteriophage PH75
分子名称: PH75 INOVIRUS MAJOR COAT PROTEIN
著者Pederson, D.M, Welsh, L.C, Marvin, D.A, Sampson, M, Perham, R.N, Yu, M, Slater, M.R.
登録日2000-12-15
公開日2001-06-01
最終更新日2023-12-13
実験手法FIBER DIFFRACTION (2.4 Å)
主引用文献The Protein Capsid of Filamentous Bacteriophage Ph75 from Thermus Thermophilus
J.Mol.Biol., 309, 2001
3I7B
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BU of 3i7b by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NM-PP1
分子名称: 1,2-ETHANEDIOL, 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1, ...
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-08
公開日2010-02-09
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.988 Å)
主引用文献Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
3I7C
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BU of 3i7c by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NA-PP2
分子名称: 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-08
公開日2010-02-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
3I79
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BU of 3i79 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)
分子名称: 1,2-ETHANEDIOL, Calmodulin-domain protein kinase 1
著者Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
登録日2009-07-08
公開日2009-08-11
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
2XKM
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BU of 2xkm by Molmil
Consensus structure of Pf1 filamentous bacteriophage from X-ray fibre diffraction and solid-state NMR
分子名称: CAPSID PROTEIN G8P
著者Straus, S.K, P Scott, W.R, Schwieters, C.D, Marvin, D.A.
登録日2010-07-09
公開日2010-11-24
最終更新日2023-12-20
実験手法FIBER DIFFRACTION (3.3 Å), SOLID-STATE NMR
主引用文献Consensus Structure of Pf1 Filamentous Bacteriophage from X-Ray Fibre Diffraction and Solid-State NMR.
Eur.Biophys.J., 40, 2011
1QL2
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BU of 1ql2 by Molmil
Inovirus (Filamentous Bacteriophage) Strain PF1 Major Coat Protein Assembly
分子名称: PF1 BACTERIOPHAGE COAT PROTEIN B
著者Welsh, L.C, Symmons, M.F, Marvin, D.A.
登録日1999-08-20
公開日2000-02-07
最終更新日2024-02-14
実験手法FIBER DIFFRACTION (3.1 Å)
主引用文献The Molecular Structure and Structural Transition of the Alpha-Helical Capsid in Filamentous Bacteriophage Pf1
Acta Crystallogr.,Sect.D, 56, 2000
1QL1
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INOVIRUS (FILAMENTOUS BACTERIOPHAGE) STRAIN PF1 MAJOR COAT PROTEIN ASSEMBLY
分子名称: PF1 BACTERIOPHAGE COAT PROTEIN B
著者Welsh, L.C, Symmons, M.F, Marvin, D.A.
登録日1999-08-20
公開日2000-02-07
最終更新日2023-12-13
実験手法FIBER DIFFRACTION (3.1 Å)
主引用文献The Molecular Structure and Structural Transition of the Alpha-Helical Capsid in Filamentous Bacteriophage Pf1
Acta Crystallogr.,Sect.D, 56, 2000

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