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2PU1
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BU of 2pu1 by Molmil
Crystal Structure of the T. brucei enolase complexed with Fluoro-phosphonoacetohydroxamate (FPAH)
分子名称: 1,2-ETHANEDIOL, Enolase, ZINC ION, ...
著者Navarro, M.V.A.S, Rigden, D.J, Garratt, R.C, Dias, S.M.G.
登録日2007-05-08
公開日2007-11-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural flexibility in Trypanosoma brucei enolase revealed by X-ray crystallography and molecular dynamics.
Febs J., 274, 2007
3FUK
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BU of 3fuk by Molmil
Leukotriene A4 hydrolase in complex with 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid
分子名称: 1-[2-(1H-indol-5-yloxy)ethyl]piperidine-4-carboxylic acid, ACETATE ION, IMIDAZOLE, ...
著者Davies, D.R.
登録日2009-01-14
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Discovery of leukotriene A4 hydrolase inhibitors using metabolomics biased fragment crystallography.
J.Med.Chem., 52, 2009
4G27
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BU of 4g27 by Molmil
Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and phenylurea
分子名称: 1-phenylurea, CALCIUM ION, Calmodulin, ...
著者Zhang, M, Pascal, J.M, Zhang, J.-F.
登録日2012-07-11
公開日2012-09-12
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Identification of the functional binding pocket for compounds targeting small-conductance Ca(2+)-activated potassium channels.
Nat Commun, 3, 2012
1T6G
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BU of 1t6g by Molmil
Crystal structure of the Triticum aestivum xylanase inhibitor-I in complex with aspergillus niger xylanase-I
分子名称: Endo-1,4-beta-xylanase I, GLYCEROL, xylanase inhibitor
著者Sansen, S, De Ranter, C.J, Gebruers, K, Brijs, K, Courtin, C.M, Delcour, J.A, Rabijns, A.
登録日2004-05-06
公開日2004-09-28
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for inhibition of Aspergillus niger xylanase by triticum aestivum xylanase inhibitor-I
J.Biol.Chem., 279, 2004
2FYX
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BU of 2fyx by Molmil
Crystal structure of a putative transposase (dr_0177) from deinococcus radiodurans r1 at 1.90 A resolution
分子名称: GLYCEROL, transposase, putative
著者Joint Center for Structural Genomics (JCSG)
登録日2006-02-08
公開日2006-02-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of a putative Transposase(6457846) from DEINOCOCCUS RADIODURANS at 1.90 A resolution
To be published
3BLB
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BU of 3blb by Molmil
Crystal structure of Golgi Mannosidase II in complex with swainsonine at 1.3 Angstrom resolution
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1S-8AB-OCTAHYDRO-INDOLIZIDINE-1A,2A,8B-TRIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kuntz, D.A, Rose, D.R.
登録日2007-12-10
公開日2008-01-08
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Golgi Mannosidase II in complex with swainsonine at 1.3 Angstrom.
To Be Published
2P2O
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BU of 2p2o by Molmil
Crystal structure of maltose transacetylase from Geobacillus kaustophilus P2(1) crystal form
分子名称: Maltose transacetylase
著者Liu, Z.J, Li, Y, Chen, L, Zhu, J, Rose, J.P, Ebihara, A, Yokoyama, S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2007-03-07
公開日2007-05-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal Structure of Maltose Transacetylase from Geobacillus Kaustophilus at 1.8 Angstrom Resolution
To be Published
2ENG
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BU of 2eng by Molmil
ENDOGLUCANASE V
分子名称: ENDOGLUCANASE V
著者Davies, G.J, Schulein, M.
登録日1995-06-29
公開日1996-12-07
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structures of oligosaccharide-bound forms of the endoglucanase V from Humicola insolens at 1.9 A resolution.
Biochemistry, 34, 1995
4NCG
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BU of 4ncg by Molmil
Discovery of Doravirine, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses
分子名称: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, Reverse transcriptase/ribonuclease H, p51 RT
著者Yan, Y.
登録日2013-10-24
公開日2014-02-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献Discovery of MK-1439, an orally bioavailable non-nucleoside reverse transcriptase inhibitor potent against a wide range of resistant mutant HIV viruses.
Bioorg.Med.Chem.Lett., 24, 2014
3CJE
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BU of 3cje by Molmil
Crystal structure of an osmc-like hydroperoxide resistance protein (jann_2040) from jannaschia sp. ccs1 at 1.70 A resolution
分子名称: GLYCEROL, OsmC-like protein, PHOSPHATE ION
著者Joint Center for Structural Genomics (JCSG)
登録日2008-03-12
公開日2008-03-25
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of OsmC-like hydroperoxide resistance protein (YP_509982.1) from Jannaschia sp. CCS1 at 1.70 A resolution
To be published
4NED
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BU of 4ned by Molmil
Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM 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, CARBONATE ION, ...
著者Gautam, L, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2013-10-29
公開日2013-12-11
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM RESOLUTION
To be Published
4GVD
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BU of 4gvd by Molmil
Crystal Structure of T-cell Lymphoma Invasion and Metastasis-1 PDZ in complex with Syndecan1 Peptide
分子名称: 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONIC ACID(DANSYL ACID), CHLORIDE ION, SODIUM ION, ...
著者Liu, X, Shepherd, T.R, Murray, A.M, Xu, Z, Fuentes, E.J.
登録日2012-08-30
公開日2013-03-13
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The structure of the Tiam1 PDZ domain/ phospho-syndecan1 complex reveals a ligand conformation that modulates protein dynamics.
Structure, 21, 2013
4IFP
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BU of 4ifp by Molmil
X-ray Crystal Structure of Human NLRP1 CARD Domain
分子名称: MALONATE ION, Maltose-binding periplasmic protein,NACHT, LRR and PYD domains-containing protein 1, ...
著者Jin, T, Curry, J, Smith, P, Jiang, J, Xiao, T.
登録日2012-12-14
公開日2013-04-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9948 Å)
主引用文献Structure of the NLRP1 caspase recruitment domain suggests potential mechanisms for its association with procaspase-1.
Proteins, 81, 2013
3C24
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BU of 3c24 by Molmil
Crystal structure of a putative oxidoreductase (YP_511008.1) from Jannaschia sp. CCS1 at 1.62 A resolution
分子名称: GLYCEROL, Putative oxidoreductase, SULFATE ION
著者Joint Center for Structural Genomics (JCSG)
登録日2008-01-24
公開日2008-02-05
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Crystal structure of a putative oxidoreductase (YP_511008.1) from Jannaschia sp. CCS1 at 1.62 A resolution
To be published
1X63
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BU of 1x63 by Molmil
Solution structure of the second LIM domain of skeletal muscle LIM protein 1
分子名称: Skeletal muscle LIM-protein 1, ZINC ION
著者Qin, X.R, Nagashima, T, Hayashi, F, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2005-05-17
公開日2005-11-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the second LIM domain of skeletal muscle LIM protein 1
To be Published
2B6N
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BU of 2b6n by Molmil
The 1.8 A crystal structure of a Proteinase K like enzyme from a psychrotroph Serratia species
分子名称: CALCIUM ION, SULFATE ION, TRIPEPTIDE, ...
著者Helland, R, Larsen, A.N, Smalas, A.O, Willassen, N.P.
登録日2005-10-03
公開日2006-03-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The 1.8 A crystal structure of a proteinase K-like enzyme from a psychrotroph Serratia species
Febs J., 273, 2006
1WOK
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BU of 1wok by Molmil
Crystal structure of catalytic domain of human poly(ADP-ribose) polymerase complexed with a quinoxaline-type inhibitor
分子名称: 3-(4-CHLOROPHENYL)QUINOXALINE-5-CARBOXAMIDE, Poly [ADP-ribose] polymerase-1
著者Iwashita, A, Hattori, K, Yamamoto, H, Ishida, J, Kido, Y, Kamijo, K, Murano, K, Miyake, H, Kinoshita, T, Warizaya, M, Ohkubo, M, Matsuoka, N, Mutoh, S.
登録日2004-08-20
公開日2005-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Discovery of quinazolinone and quinoxaline derivatives as potent and selective poly(ADP-ribose) polymerase-1/2 inhibitors.
Febs Lett., 579, 2005
1K0O
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BU of 1k0o by Molmil
Crystal structure of a soluble form of CLIC1. An intracellular chloride ion channel
分子名称: CHLORIDE INTRACELLULAR CHANNEL PROTEIN 1
著者Harrop, S.J, DeMaere, M.Z, Fairlie, W.D, Reztsova, T, Valenzuela, S.M, Mazzanti, M, Tonini, R, Qiu, M.R, Jankova, L, Warton, K, Bauskin, A.R, Wu, W.M, Pankhurst, S, Campbell, T.J, Breit, S.N, Curmi, P.M.G.
登録日2001-09-19
公開日2001-12-12
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of a soluble form of the intracellular chloride ion channel CLIC1 (NCC27) at 1.4-A resolution.
J.Biol.Chem., 276, 2001
5REJ
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BU of 5rej by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102241
分子名称: 1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日2020-03-15
公開日2020-03-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
3LJU
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BU of 3lju by Molmil
Crystal structure of full length centaurin alpha-1 bound with the head group of PIP3
分子名称: (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, Arf-GAP with dual PH domain-containing protein 1, ZINC ION
著者Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2010-01-26
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin alpha1.
Proc.Natl.Acad.Sci.USA, 107, 2010
5REM
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BU of 5rem by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0103016
分子名称: 1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日2020-03-15
公開日2020-03-25
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5RFX
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BU of 5rfx by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102254
分子名称: 1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日2020-03-15
公開日2020-03-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
3S97
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BU of 3s97 by Molmil
PTPRZ CNTN1 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin-1, Receptor-type tyrosine-protein phosphatase zeta
著者Bouyain, S.
登録日2011-05-31
公開日2011-09-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.2971 Å)
主引用文献A complex between contactin-1 and the protein tyrosine phosphatase PTPRZ controls the development of oligodendrocyte precursor cells.
Proc.Natl.Acad.Sci.USA, 108, 2011
3SEC
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BU of 3sec by Molmil
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with pyrazofurin monophosphate
分子名称: (1S)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol, GLYCEROL, Orotidine 5'-phosphate decarboxylase
著者Liu, Y, Kotra, L.P, Pai, E.F.
登録日2011-06-10
公開日2012-04-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of methanococcus thermolithotrophicus orotidine 5'-monophosphate decarboxylase complexed with pyrazofurin monophosphate
To be Published
2FR3
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BU of 2fr3 by Molmil
Crystal Structure of Cellular Retinoic Acid Binding Protein Type II in Complex with All-Trans-Retinoic Acid at 1.48 Angstroms Resolution
分子名称: ACETATE ION, Cellular retinoic acid binding protein 2, RETINOIC ACID
著者Vaezeslami, S, Geiger, J.H.
登録日2006-01-18
公開日2006-09-19
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献The structure of Apo-wild-type cellular retinoic acid binding protein II at 1.4 A and its relationship to ligand binding and nuclear translocation.
J.Mol.Biol., 363, 2006

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