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4N94
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BU of 4n94 by Molmil
E. coli sliding clamp in complex with 3,4-difluorobenzamide
分子名称: 1,2-ETHANEDIOL, 3,4-difluorobenzamide, CALCIUM ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-10-19
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
7EMN
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BU of 7emn by Molmil
The atomic structure of SHP2 E76A mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Luo, F, Xie, J.J, Zhu, J.D, Liu, C.
登録日2021-04-14
公開日2021-05-05
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism.
J.Biol.Chem., 296, 2021
4N73
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BU of 4n73 by Molmil
Crystal structure of the ligand binding domain (LBD) of REV-ERB beta bound to Cobalt Protoporphyrin IX
分子名称: Nuclear receptor subfamily 1 group D member 2, PROTOPORPHYRIN IX CONTAINING CO
著者Matta-Camacho, E, Kojetin, D.
登録日2013-10-14
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8662 Å)
主引用文献Structure of REV-ERB beta Ligand-binding Domain Bound to a Porphyrin Antagonist.
J.Biol.Chem., 289, 2014
4ORD
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BU of 4ord by Molmil
Crystal Structure of Zebra Fish Thioesterase Superfamily Member 2
分子名称: Thioesterase Superfamily Member 2
著者Yu, S.S, Li, H, Gao, F, Xu, H, Gong, W.M.
登録日2014-02-11
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure and Potential Physiological Role of Zebra Fish Thioesterase Superfamily Member 2 (fTHEM2)
To be Published
4MBL
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BU of 4mbl by Molmil
Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors
分子名称: (1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine, Serine/threonine-protein kinase pim-1
著者Azevedo, R, Fischmann, T.O.
登録日2013-08-19
公開日2013-09-11
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: A template-based approach.
Bioorg.Med.Chem.Lett., 23, 2013
4OVG
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BU of 4ovg by Molmil
E. coli sliding clamp in complex with (R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4MBI
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BU of 4mbi by Molmil
Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors
分子名称: N,N-dimethyl-N'-[3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine, Serine/threonine-protein kinase pim-1
著者Azevedo, R, Fischmann, T.O.
登録日2013-08-19
公開日2013-09-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: A template-based approach.
Bioorg.Med.Chem.Lett., 23, 2013
4OVF
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BU of 4ovf by Molmil
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
3R0Y
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BU of 3r0y by Molmil
Crystal Structures of Multidrug-resistant HIV-1 Protease in Complex with Mechanism-Based Aspartyl Protease Inhibitors
分子名称: Multidrug-resistant clinical isolate 769 HIV-1 Protease, N-[(2S)-1-{[(2S,3S)-3-hydroxy-5-oxo-5-{[(2R)-1-oxo-3-phenyl-1-(prop-2-yn-1-ylamino)propan-2-yl]amino}-1-phenylpentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
著者Yedidi, R.S, Gupta, D, Liu, Z, Brunzelle, J, Kovari, I.A, Woster, P.M, Kovari, L.C.
登録日2011-03-09
公開日2012-04-04
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of multidrug-resistant HIV-1 protease in complex with two potent anti-malarial compounds.
Biochem.Biophys.Res.Commun., 421, 2012
4MJQ
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BU of 4mjq by Molmil
E. coli sliding clamp in complex with Bromfenac
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-09-04
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献DNA replication is the target for the antibacterial effects of nonsteroidal anti-inflammatory drugs.
Chem.Biol., 21, 2014
4N96
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BU of 4n96 by Molmil
E. coli sliding clamp in complex with 6-nitroindazole
分子名称: 6-NITROINDAZOLE, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-10-19
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
2PG2
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BU of 2pg2 by Molmil
Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 15
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF11, MAGNESIUM ION, ...
著者Lee, T.T.
登録日2007-04-06
公開日2007-06-05
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Synthesis and SAR of thiophene containing kinesin spindle protein (KSP) inhibitors
Bioorg.Med.Chem.Lett., 17, 2007
2LK3
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BU of 2lk3 by Molmil
U2/U6 Helix I
分子名称: RNA (5'-R(*GP*GP*CP*UP*UP*AP*GP*AP*UP*CP*AP*GP*AP*AP*AP*UP*GP*AP*UP*CP*AP*GP*CP*C)-3')
著者Burke, J.E, Sashital, D.G, Zuo, X.E, Wang, Y, Butcher, S.E.
登録日2011-10-03
公開日2012-02-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the yeast U2/U6 snRNA complex.
Rna, 18, 2012
4N9A
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BU of 4n9a by Molmil
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid
分子名称: (1R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2013-10-19
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
4N97
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BU of 4n97 by Molmil
E. coli sliding clamp in complex with 5-nitroindole
分子名称: 5-nitro-1H-indole, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Yin, Z, Oakley, A.J.
登録日2013-10-19
公開日2013-11-06
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
J.Med.Chem., 57, 2014
4OVH
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BU of 4ovh by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-(carboxymethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
分子名称: (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
著者Yin, Z, Oakley, A.J.
登録日2014-02-21
公開日2014-03-05
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4P4K
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BU of 4p4k by Molmil
Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between allergic hypersensitivity and auto immunity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, BERYLLIUM, HLA class II histocompatibility antigen, ...
著者Clayton, G.M, Crawford, F, Kappler, J.W.
登録日2014-03-12
公開日2014-07-16
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
3UUF
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BU of 3uuf by Molmil
Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIP1, secretory lipase (Family 3), ...
著者Xu, T, Xu, J, Hou, S, Liu, J.
登録日2011-11-28
公開日2012-04-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
J.Struct.Biol., 178, 2012
4P57
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BU of 4p57 by Molmil
MHC TCR peptide complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ...
著者Clayton, G.M, Crawford, F, Kappler, J.W.
登録日2014-03-14
公開日2014-07-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
4P4R
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BU of 4p4r by Molmil
Structural Basis of Chronic Beryllium Disease: Bridging the Gap Between Allergic Hypersensitivity and Autoimmunity
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HLA class II histocompatibility antigen, DP alpha 1 chain, ...
著者Clayton, G.M, Crawford, F, Kappler, J.W.
登録日2014-03-13
公開日2014-07-16
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural basis of chronic beryllium disease: linking allergic hypersensitivity and autoimmunity.
Cell, 158, 2014
4P61
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BU of 4p61 by Molmil
CHICKEN TRIOSEPHOSPHATE ISOMERASE WITH LOOP6 MUTATIONS, V167P AND W168E.
分子名称: Triosephosphate isomerase
著者Pegan, S.D, Mesecar, A.D.
登録日2014-03-21
公開日2014-08-27
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.34 Å)
主引用文献Enzyme architecture: the effect of replacement and deletion mutations of loop 6 on catalysis by triosephosphate isomerase.
Biochemistry, 53, 2014
2LKR
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BU of 2lkr by Molmil
Yeast U2/U6 complex
分子名称: RNA (111-MER)
著者Burke, J.E, Sashital, D.G, Zuo, X, Wang, Y, Butcher, S.E.
登録日2011-10-19
公開日2012-02-22
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of the yeast U2/U6 snRNA complex.
Rna, 18, 2012
3UUE
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BU of 3uue by Molmil
Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa
分子名称: CHLORIDE ION, GLYCEROL, LIP1, ...
著者Xu, T, Xu, J, Hou, S, Liu, J.
登録日2011-11-28
公開日2012-04-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity.
J.Struct.Biol., 178, 2012
2QOH
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BU of 2qoh by Molmil
Crystal Structure of Abl kinase bound with PPY-A
分子名称: 5-[3-(2-METHOXYPHENYL)-1H-PYRROLO[2,3-B]PYRIDIN-5-YL]-N,N-DIMETHYLPYRIDINE-3-CARBOXAMIDE, Proto-oncogene tyrosine-protein kinase ABL1
著者Zhou, T, Dalgarno, D, Zhu, X.
登録日2007-07-20
公開日2007-09-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal Structure of the T315I Mutant of Abl Kinase
Chem.Biol.Drug Des., 70, 2007
7WSB
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BU of 7wsb by Molmil
The ternary complex structure of FtmOx1 with a-ketoglutarate and 13-oxo-fumitremorgin B
分子名称: 13-Oxofumitremorgin B, 2-OXOGLUTARIC ACID, COBALT (II) ION, ...
著者Wang, J, Wang, X.Y, Wang, Y.Y, Yan, W.P.
登録日2022-01-28
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.87 Å)
主引用文献Dissecting the Mechanism of the Nonheme Iron Endoperoxidase FtmOx1 Using Substrate Analogues.
Jacs Au, 2, 2022

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