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1YQY
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Structure of B. Anthrax Lethal factor in complex with a hydroxamate inhibitor
分子名称: (2R)-2-{[(4-FLUORO-3-METHYLPHENYL)SULFONYL]AMINO}-N-HYDROXY-2-TETRAHYDRO-2H-PYRAN-4-YLACETAMIDE, Lethal factor, ZINC ION
著者Shoop, W.L, Xiong, Y, Wiltsie, J, Woods, A, Guo, J, Pivnichny, J.V, Felcetto, T, Michael, B.F, Bansal, A.
登録日2005-02-02
公開日2005-05-31
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Anthrax lethal factor inhibition.
Proc.Natl.Acad.Sci.Usa, 102, 2005
4PGO
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BU of 4pgo by Molmil
Crystal structure of hypothetical protein PF0907 from Pyrococcus furiosus solved by sulfur SAD using Swiss Light Source data
分子名称: CHLORIDE ION, Uncharacterized protein
著者Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2014-05-02
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4PII
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BU of 4pii by Molmil
Crystal structure of hypothetical protein PF0907 from pyrococcus furiosus solved by sulfur SAD using Swiss light source data
分子名称: CHLORIDE ION, IMIDAZOLE, N-glycosylase/DNA lyase
著者Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
登録日2014-05-08
公開日2014-12-10
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
3NSJ
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BU of 3nsj by Molmil
The X-ray crystal structure of lymphocyte perforin
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Law, R.H, Whisstock, J.C, Caradoc-Davies, T.T.
登録日2010-07-01
公開日2010-11-03
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The structural basis for membrane binding and pore formation by lymphocyte perforin.
Nature, 468, 2010
3QVN
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BU of 3qvn by Molmil
Crystal Structure of cytosolic MnSOD3 from Candida albicans
分子名称: MANGANESE (II) ION, Manganese-containing superoxide dismutase
著者Sheng, Y, Cascio, D, Valentine, J.S.
登録日2011-02-25
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Comparison of two yeast MnSODs: mitochondrial Saccharomyces cerevisiae versus cytosolic Candida albicans.
J.Am.Chem.Soc., 133, 2011
4QO8
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Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 104
分子名称: (5S)-2-[(2-chlorophenyl)sulfanyl]-5-(2,6-dichlorophenyl)-3-hydroxycyclohex-2-en-1-one, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-06-19
公開日2014-07-16
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4QO7
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Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-enone compound 7
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-06-19
公開日2014-07-16
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Identification of substituted 3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 24, 2014
4R0I
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CRYSTAL STRUCTURE of MATRIPTASE in COMPLEX WITH INHIBITOR
分子名称: 3-({(2S)-3-[4-(2-aminoethyl)piperidin-1-yl]-2-[(naphthalen-2-ylsulfonyl)amino]-3-oxopropyl}oxy)benzenecarboximidamide, SERINE PROTEASE, MATRIPTASE, ...
著者Rao, K.N, Ashok, K.N, Chakshusmathi, G, Rajeev, G, Subramanya, H.
登録日2014-07-31
公開日2015-02-11
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Discovery of O-(3-carbamimidoylphenyl)-l-serine amides as matriptase inhibitors using a fragment-linking approach
Bioorg.Med.Chem.Lett., 25, 2015
4R68
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Lactate Dehydrogenase in complex with inhibitor compound 31
分子名称: (1S)-1-phenylethyl (4-chloro-3-{[(4S)-4-(2,6-dichlorophenyl)-2-hydroxy-6-oxocyclohex-1-en-1-yl]sulfanyl}phenyl)acetate, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Eigenbrot, C, Ultsch, M.
登録日2014-08-22
公開日2014-12-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献Optimization of 5-(2,6-dichlorophenyl)-3-hydroxy-2-mercaptocyclohex-2-enones as potent inhibitors of human lactate dehydrogenase.
Bioorg.Med.Chem.Lett., 25, 2014
4EI4
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BU of 4ei4 by Molmil
JAK1 kinase (JH1 domain) in complex with compound 20
分子名称: (1R,3R)-3-(2-methylimidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(8H)-yl)cyclohexanol, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Steffek, M.
登録日2012-04-04
公開日2012-07-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
4FK6
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BU of 4fk6 by Molmil
JAK1 kinase (JH1 domain) in complex with compound 72
分子名称: N-({1-[(1R,2R,4S)-bicyclo[2.2.1]hept-2-yl]-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl}methyl)methanesulfonamide, Tyrosine-protein kinase JAK1
著者Eigenbrot, C, Steffek, M.
登録日2012-06-12
公開日2012-11-07
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based discovery of C-2 substituted imidazo-pyrrolopyridine JAK1 inhibitors with improved selectivity over JAK2.
Bioorg.Med.Chem.Lett., 22, 2012
4EHZ
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BU of 4ehz by Molmil
The Jak1 kinase domain in complex with inhibitor
分子名称: 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1
著者Lupardus, P.J, Steffek, M.
登録日2012-04-04
公開日2012-07-04
最終更新日2013-01-23
実験手法X-RAY DIFFRACTION (2.174 Å)
主引用文献Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
4ZVV
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BU of 4zvv by Molmil
Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140
分子名称: (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
著者Li, Y, Chen, Z, Eigenbrot, C.
登録日2015-05-18
公開日2016-05-18
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016
4F09
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Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
分子名称: 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-05-03
公開日2012-07-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
4HGE
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BU of 4hge by Molmil
JAK2 kinase (JH1 domain) in complex with compound 8
分子名称: N-[1-(3-chlorophenyl)-3-methyl-1H-pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide, Tyrosine-protein kinase JAK2
著者Eigenbrot, C, Ultsch, M.
登録日2012-10-08
公開日2012-10-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of potent and selective pyrazolopyrimidine janus kinase 2 inhibitors.
J.Med.Chem., 55, 2012
4HNJ
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Crystallographic structure of BCL-xL domain-swapped dimer in complex with PUMA BH3 peptide at 2.9A resolution
分子名称: Bcl-2-binding component 3, Bcl-2-like protein 1
著者Fisher, J.C, Yun, M.K, White, S.W.
登録日2012-10-19
公開日2013-01-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献PUMA binding induces partial unfolding within BCL-xL to disrupt p53 binding and promote apoptosis.
Nat.Chem.Biol., 9, 2013
4F08
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Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
分子名称: 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
著者Murray, J.M.
登録日2012-05-03
公開日2012-07-04
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
1I5I
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THE C18S MUTANT OF BOVINE (GAMMA-B)-CRYSTALLIN
分子名称: (GAMMA-B) CRYSTALLIN
著者Zarutskie, J.A, Asherie, N, Pande, J, Pande, A, Lomakin, J, Lomakin, A, Ogun, O, Stern, L.J, King, J.A, Benedek, G.B.
登録日2001-02-27
公開日2001-03-07
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Enhanced crystallization of the Cys18 to Ser mutant of bovine gammaB crystallin.
J.Mol.Biol., 314, 2001
1GCS
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STRUCTURE OF THE BOVINE GAMMA-B CRYSTALLIN AT 150K
分子名称: GAMMA-B CRYSTALLIN
著者Najmudin, S, Lindley, P, Slingsby, C, Bateman, O, Myles, D, Kumaraswamy, S, Glover, I.
登録日1994-01-27
公開日1994-04-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of the Bovine Gamma-B Crystallin at 150K
J.CHEM.SOC.,FARADAY TRANS., 89, 1993
1EIQ
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BU of 1eiq by Molmil
2,3-DIHYDROXYBIPHENYL-1,2-DIOXYGENASE
分子名称: 2,3-DIHYDROXYBIPHENYL-1,2-DIOXYGENASE, FE (III) ION
著者Senda, T.
登録日2000-02-28
公開日2001-02-28
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of substrate free and complex forms of reactivated BphC, an extradiol type ring-cleavage dioxygenase.
J.Inorg.Biochem., 83, 2001
2KAI
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REFINED 2.5 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF THE COMPLEX FORMED BY PORCINE KALLIKREIN A AND THE BOVINE PANCREATIC TRYPSIN INHIBITOR. CRYSTALLIZATION, PATTERSON SEARCH, STRUCTURE DETERMINATION, REFINEMENT, STRUCTURE AND COMPARISON WITH ITS COMPONENTS AND WITH THE BOVINE TRYPSIN-PANCREATIC TRYPSIN INHIBITOR COMPLEX
分子名称: BOVINE PANCREATIC TRYPSIN INHIBITOR, KALLIKREIN A
著者Bode, W, Chen, Z.
登録日1984-05-21
公開日1984-07-19
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Refined 2.5 A X-ray crystal structure of the complex formed by porcine kallikrein A and the bovine pancreatic trypsin inhibitor. Crystallization, Patterson search, structure determination, refinement, structure and comparison with its components and with the bovine trypsin-pancreatic trypsin inhibitor complex
J.Mol.Biol., 164, 1983
2DYM
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The crystal structure of Saccharomyces cerevisiae Atg5- Atg16(1-46) complex
分子名称: Autophagy protein 16, Autophagy protein 5
著者Matsushita, M, Suzuki, N.N, Inagaki, F.
登録日2006-09-15
公開日2006-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of Atg5.Atg16, a complex essential for autophagy
J.Biol.Chem., 282, 2007
2DYO
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The crystal structure of Saccharomyces cerevisiae Atg5- Atg16(1-57) complex
分子名称: Autophagy protein 16, Autophagy protein 5
著者Matsushita, M, Suzuki, N.N, Inagaki, F.
登録日2006-09-15
公開日2006-12-26
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Structure of Atg5.Atg16, a complex essential for autophagy
J.Biol.Chem., 282, 2007
3SW8
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Strep Peptide Deformylase with a time dependent dichlorobenzamide-reverse hydroxamic acid
分子名称: 2,3-dichloro-N-{2-[formyl(hydroxy)amino]ethyl}benzamide, NICKEL (II) ION, Peptide deformylase 3, ...
著者Campobasso, N, Smith, K.J.
登録日2011-07-13
公開日2011-07-27
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Understanding the origins of time-dependent inhibition by polypeptide deformylase inhibitors.
Biochemistry, 50, 2011
2ME8
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Solution Structure of BCL-xL in its p53-bound conformation determined with selective isotope labelling of I,L,V sidechains
分子名称: Bcl-2-like protein 1
著者Viacava Follis, A, Grace, C.R, Kriwacki, R.W.
登録日2013-09-25
公開日2014-04-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The DNA-binding domain mediates both nuclear and cytosolic functions of p53.
Nat.Struct.Mol.Biol., 21, 2014

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