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4GA3
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BU of 4ga3 by Molmil
Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260
分子名称: 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ...
著者Liu, Y.-L, Zhang, Y, Oldfield, E.
登録日2012-07-24
公開日2013-05-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis.
ACS MED.CHEM.LETT., 4, 2013
4KES
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BU of 4kes by Molmil
Crystal structure of SsoPox W263T
分子名称: 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ...
著者Gotthard, G, Hiblot, J, Chabriere, E, Elias, M.
登録日2013-04-26
公開日2013-10-02
最終更新日2025-03-26
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox.
Plos One, 8, 2013
2ZCS
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BU of 2zcs by Molmil
Crystal structure of the C(30) carotenoid dehydrosqualene synthase from Staphylococcus aureus complexed with bisphosphonate BPH-700
分子名称: Dehydrosqualene synthase, tripotassium (1R)-4-biphenyl-4-yl-1-phosphonatobutane-1-sulfonate
著者Liu, C.I, Jeng, W.Y, Wang, A.H, Oldfield, E.
登録日2007-11-11
公開日2008-03-11
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献A cholesterol biosynthesis inhibitor blocks Staphylococcus aureus virulence.
Science, 319, 2008
4GCO
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BU of 4gco by Molmil
Central domain of stress-induced protein-1 (STI-1) from C.elegans
分子名称: Protein STI-1
著者Osipiuk, J, Bigelow, L, Gu, M, Van Oosten-Hawle, P, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-07-30
公開日2012-08-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Central domain of stress-induced protein-1 (STI-1) from C.elegans
To be Published
2ZGX
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Thrombin Inhibition
分子名称: 1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide, Hirudin variant-1, SODIUM ION, ...
著者Baum, B, Heine, A, Klebe, G.
登録日2008-01-28
公開日2008-12-16
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
1UWG
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BU of 1uwg by Molmil
Molecular Mechanism of Enantioselective Proton Transfer to Carbon in Catalytic Antibody 14D9
分子名称: 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-1-METHYLPIPERIDINIUM, ANTIBODY 14D9, PHOSPHATE ION
著者Baumann, U, Reymond, J.L.
登録日2004-02-05
公開日2004-02-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Molecular Mechanism of Enantioselective Proton Transfer to Carbon in Catalytic Antibody 14D9
Proc.Natl.Acad.Sci.USA, 101, 2004
1ZXY
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BU of 1zxy by Molmil
Anthranilate Phosphoribosyltransferase from Sulfolobus solfataricus in complex with PRPP and Magnesium
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, Anthranilate phosphoribosyltransferase, MAGNESIUM ION
著者Marino, M, Deuss, M, Sterner, R, Mayans, O.
登録日2005-06-09
公開日2006-05-23
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structural and mutational analysis of substrate complexation by anthranilate phosphoribosyltransferase from Sulfolobus solfataricus.
J.Biol.Chem., 281, 2006
5SPY
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BU of 5spy by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with REAL300019621104
分子名称: 1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(1H-tetrazol-5-yl)sulfanyl]ethan-1-one, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
4GCN
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BU of 4gcn by Molmil
N-terminal domain of stress-induced protein-1 (STI-1) from C.elegans
分子名称: Protein STI-1, TRIETHYLENE GLYCOL
著者Osipiuk, J, Bigelow, L, Gu, M, Van Oosten-Hawle, P, Morimoto, R.I, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2012-07-30
公開日2012-08-15
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献N-terminal domain of stress-induced protein-1 (STI-1) from C.elegans
To be Published
1HQN
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BU of 1hqn by Molmil
THE SELENOMETHIONINE DERIVATIVE OF P3, THE MAJOR COAT PROTEIN OF THE LIPID-CONTAINING BACTERIOPHAGE PRD1.
分子名称: MAJOR CAPSID PROTEIN
著者Benson, S.D, Bamford, J.K.H, Bamford, D.H, Burnett, R.M.
登録日2000-12-18
公開日2001-01-17
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The X-ray crystal structure of P3, the major coat protein of the lipid-containing bacteriophage PRD1, at 1.65 A resolution.
Acta Crystallogr.,Sect.D, 58, 2002
4G1K
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BU of 4g1k by Molmil
Crystal structure of triosephosphate isomerase from Burkholderia thailandensis
分子名称: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2012-07-10
公開日2012-07-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
1VFQ
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BU of 1vfq by Molmil
The Crystal Structure of Human Coactosin-like Protein at 1.9 A Resolution
分子名称: Coactosin-like protein
著者Li, X, Liu, Y, Liu, X, Lou, Z.
登録日2004-04-19
公開日2005-01-25
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of human coactosin-like protein at 1.9 A resolution
PROTEIN SCI., 13, 2004
2EBU
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BU of 2ebu by Molmil
Solution structure of the BRCT domain from human replication factor C large subunit 1
分子名称: Replication factor C subunit 1
著者Nagashima, T, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-02-09
公開日2007-08-14
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the BRCT domain from human replication factor C large subunit 1
To be Published
4GHL
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BU of 4ghl by Molmil
Structural Basis for Marburg virus VP35 mediate immune evasion mechanisms
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ...
著者Ramanan, P, Borek, D.M, Otwinowski, Z, Leung, D.W, Amarasinghe, G.K.
登録日2012-08-07
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structural basis for Marburg virus VP35-mediated immune evasion mechanisms.
Proc.Natl.Acad.Sci.USA, 109, 2012
1HSL
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BU of 1hsl by Molmil
REFINED 1.89 ANGSTROMS STRUCTURE OF THE HISTIDINE-BINDING PROTEIN COMPLEXED WITH HISTIDINE AND ITS RELATIONSHIP WITH MANY OTHER ACTIVE TRANSPORT(SLASH)CHEMOSENSORY RECEPTORS
分子名称: CADMIUM ION, HISTIDINE, HISTIDINE-BINDING PROTEIN
著者Yao, N, Trakhanov, S, Quiocho, F.A.
登録日1994-01-03
公開日1994-05-31
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Refined 1.89-A structure of the histidine-binding protein complexed with histidine and its relationship with many other active transport/chemosensory proteins.
Biochemistry, 33, 1994
1DK4
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BU of 1dk4 by Molmil
CRYSTAL STRUCTURE OF MJ0109 GENE PRODUCT INOSITOL MONOPHOSPHATASE
分子名称: INOSITOL MONOPHOSPHATASE, PHOSPHATE ION, ZINC ION
著者Stec, B, Yang, H, Johnson, K.A, Chen, L, Roberts, M.F.
登録日1999-12-06
公開日2000-11-08
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献MJ0109 is an enzyme that is both an inositol monophosphatase and the 'missing' archaeal fructose-1,6-bisphosphatase.
Nat.Struct.Biol., 7, 2000
1VJV
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BU of 1vjv by Molmil
Crystal structure of Ubiquitin carboxyl-terminal hydrolase 6 (yfr010w) from Saccharomyces cerevisiae at 1.74 A resolution
分子名称: Ubiquitin carboxyl-terminal hydrolase 6
著者Joint Center for Structural Genomics (JCSG)
登録日2004-03-29
公開日2004-09-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structure of Ubiquitin carboxyl-terminal hydrolase 6 (yfr010w) from Saccharomyces cerevisiae at 1.74 A resolution
To be published
4FT7
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BU of 4ft7 by Molmil
Crystal Structure of the CHK1
分子名称: 1-{5-bromo-2-[(3R)-3-hydroxypiperidin-1-yl]phenyl}-3-(5-cyanopyrazin-2-yl)urea, GLYCEROL, ISOPROPYL ALCOHOL, ...
著者Kang, Y.N, Stuckey, J.A, Chang, P, Russell, A.J.
登録日2012-06-27
公開日2012-08-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal Structure of the CHK1
To be Published
1HTR
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BU of 1htr by Molmil
CRYSTAL AND MOLECULAR STRUCTURES OF HUMAN PROGASTRICSIN AT 1.62 ANGSTROMS RESOLUTION
分子名称: GASTRICSIN, PROGASTRICSIN (PRO SEGMENT)
著者Moore, S.A, Sielecki, A.R, James, M.N.G.
登録日1994-10-21
公開日1995-01-26
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal and molecular structures of human progastricsin at 1.62 A resolution.
J.Mol.Biol., 247, 1995
3R6J
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BU of 3r6j by Molmil
Crystal Structure of the Capsid P Domain from Norwalk Virus Strain Hiroshima/1999
分子名称: 1,2-ETHANEDIOL, VP1 protein
著者Hansman, G.S, Biertumpfel, C, McLellan, J.S, Georgiev, I, Chen, L, Zhou, T, Katayama, K, Kwong, P.D.
登録日2011-03-21
公開日2011-05-11
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structures of GII.10 and GII.12 norovirus protruding domains in complex with histo-blood group antigens reveal details for a potential site of vulnerability.
J.Virol., 85, 2011
3AHH
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BU of 3ahh by Molmil
H142A mutant of Phosphoketolase from Bifidobacterium Breve complexed with acetyl thiamine diphosphate
分子名称: 1,2-ETHANEDIOL, 2-ACETYL-THIAMINE DIPHOSPHATE, MAGNESIUM ION, ...
著者Suzuki, R, Katayama, T, Kim, B.-J, Wakagi, T, Shoun, H, Ashida, H, Yamamoto, K, Fushinobu, S.
登録日2010-04-22
公開日2010-08-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of phosphoketolase: thiamine diphosphate-dependent dehydration mechanism
J.Biol.Chem., 285, 2010
3RB3
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BU of 3rb3 by Molmil
Dpo4 extension ternary complex with 3'-terminal primer A base opposite the 1-methylguanine (m1g) lesion
分子名称: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
著者Rechkoblit, O, Patel, D.J.
登録日2011-03-28
公開日2011-06-15
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Implications for damage recognition during Dpo4-mediated mutagenic bypass of m1G and m3C lesions.
Structure, 19, 2011
2JNR
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BU of 2jnr by Molmil
Discovery and optimization of a natural HIV-1 entry inhibitor targeting the gp41 fusion peptide
分子名称: ENV polyprotein, VIR165
著者Munch, J, Standker, L, Adermann, K, Schulz, A, Pohlmann, S, Chaipan, C, Biet, T, Peters, T, Meyer, B, Wilhelm, D, Lu, H, Jing, W, Jiang, S, Forssmann, W, Kirchhoff, F.
登録日2007-02-01
公開日2007-05-08
最終更新日2024-11-20
実験手法SOLUTION NMR
主引用文献Discovery and Optimization of a Natural HIV-1 Entry Inhibitor Targeting the gp41 Fusion Peptide.
Cell(Cambridge,Mass.), 129, 2007
5SS6
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BU of 5ss6 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINClf00000cdzal
分子名称: 1-(2-{[2-(ethylamino)-1,3-thiazole-5-carbonyl]amino}ethyl)-1H-imidazole-4-carboxylic acid, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
5SSL
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BU of 5ssl by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINCoj00000doMWF
分子名称: 1-[4-(cyanomethyl)phenyl]-N-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)methanesulfonamide, Non-structural protein 3
著者Correy, G.J, Fraser, J.S.
登録日2022-06-09
公開日2022-07-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Iterative computational design and crystallographic screening identifies potent inhibitors targeting the Nsp3 macrodomain of SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023

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