1B5T
 
 | | ESCHERICHIA COLI METHYLENETETRAHYDROFOLATE REDUCTASE | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, MERCURY (II) ION, PROTEIN (METHYLENETETRAHYDROFOLATE REDUCTASE) | | Authors: | Guenther, B.D, Sheppard, C.A, Tran, P, Rozen, R, Matthews, R.G, Ludwig, M.L. | | Deposit date: | 1999-01-07 | | Release date: | 1999-01-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The structure and properties of methylenetetrahydrofolate reductase from Escherichia coli suggest how folate ameliorates human hyperhomocysteinemia.
Nat.Struct.Biol., 6, 1999
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4O9V
 | | Crystal structure of matriptase in complex with inhibitor | | Descriptor: | N-(trans-4-aminocyclohexyl)-3,5-bis(4-carbamimidoylphenoxy)benzamide, Peptide CGLR, Suppressor of tumorigenicity 14 protein | | Authors: | Rao, K.N, Chandra, B.R, Ashok, K.N, Chakshusmathi, G, Ramesh, K.S, Subramanya, H.S. | | Deposit date: | 2014-01-03 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-guided discovery of 1,3,5 tri-substituted benzenes as potent and selective matriptase inhibitors exhibiting in vivo antitumor efficacy.
Bioorg.Med.Chem., 22, 2014
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1ID0
 | | CRYSTAL STRUCTURE OF THE NUCLEOTIDE BOND CONFORMATION OF PHOQ KINASE DOMAIN | | Descriptor: | MAGNESIUM ION, PHOQ HISTIDINE KINASE, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Marina, A, Mott, C, Auyzenberg, A, Waldburger, C.D, Hendrickson, W.A. | | Deposit date: | 2001-04-02 | | Release date: | 2001-10-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural and mutational analysis of the PhoQ histidine kinase catalytic domain. Insight into the reaction mechanism.
J.Biol.Chem., 276, 2001
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2WOT
 | | ALK5 IN COMPLEX WITH 4-((5,6-dimethyl-2-(2-pyridyl)-3-pyridyl)oxy)-N-(3,4,5-trimethoxyphenyl)pyridin-2-amine | | Descriptor: | 1,2-ETHANEDIOL, 4-[(5,6-DIMETHYL-2,2'-BIPYRIDIN-3-YL)OXY]-N-(3,4,5-TRIMETHOXYPHENYL)PYRIDIN-2-AMINE, TGF-BETA RECEPTOR TYPE-1 | | Authors: | Norman, R.A, Debreczeni, J.E, Goldberg, F.W, Ward, R.A, Finlay, R, Powell, S.J, Roberts, N.J, Dishington, A.P, Gingell, H.J, Wickson, K.F, Roberts, A.L. | | Deposit date: | 2009-07-28 | | Release date: | 2009-09-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Rapid Generation of a High Quality Lead for Transforming Growth Factor-Beta (Tgf-Beta) Type I Receptor (Alk5).
J.Med.Chem., 52, 2009
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4PDV
 | | Structure of K+ selective NaK mutant in barium and potassium | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BARIUM ION, POTASSIUM ION, ... | | Authors: | Lam, Y, Zeng, W, Sauer, D.B, Jiang, Y. | | Deposit date: | 2014-04-22 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.821 Å) | | Cite: | High Resolution Structural Views of Rubidium, Cesium and Barium Binding within a Potassium Selective Channel Filter
To Be Published
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3WRG
 | | The complex structure of HypBA1 with L-arabinose | | Descriptor: | Non-reducing end beta-L-arabinofuranosidase, ZINC ION, beta-L-arabinofuranose | | Authors: | Huang, C.H, Zhu, Z, Cheng, Y.S, Chan, H.C, Ko, T.P, Chen, C.C, Wang, I, Ho, M.R, Hsu, S.T, Zeng, Y.F, Huang, Y.N, Liu, J.R, Guo, R.T. | | Deposit date: | 2014-02-25 | | Release date: | 2014-09-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structure and Catalytic Mechanism of a Glycoside Hydrolase Family-127 beta-L-Arabinofuranosidase (HypBA1)
J BIOPROCESS BIOTECH, 4, 2014
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4PDR
 | | Crystal Structure of a K+ selective NaK mutant in Barium and Sodium | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BARIUM ION, Potassium channel protein, ... | | Authors: | Lam, Y, Zeng, W, Sauer, D.B, Jiang, Y. | | Deposit date: | 2014-04-21 | | Release date: | 2014-07-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | High Resolution Structural Views of Rubidium, Cesium and Barium Binding within a Potassium Selective Channel Filter
To Be Published
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3WRF
 | | The crystal structure of native HypBA1 from Bifidobacterium longum JCM 1217 | | Descriptor: | Non-reducing end beta-L-arabinofuranosidase | | Authors: | Huang, C.H, Zhu, Z, Cheng, Y.S, Chan, H.C, Ko, T.P, Chen, C.C, Wang, I, Ho, M.R, Hsu, S.T, Zeng, Y.F, Huang, Y.N, Liu, J.R, Guo, R.T. | | Deposit date: | 2014-02-25 | | Release date: | 2014-09-03 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structure and Catalytic Mechanism of a Glycoside Hydrolase Family-127 beta-L-Arabinofuranosidase (HypBA1)
J BIOPROCESS BIOTECH, 4, 2014
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4PHF
 | | Crystal structure of Ypt7 covalently modified with GDP | | Descriptor: | GTP-binding protein YPT7, MAGNESIUM ION, N-[3-(propanoylamino)propyl]guanosine 5'-(trihydrogen diphosphate), ... | | Authors: | Vieweg, S, Wiegandt, D, Hofmann, F, Koch, D, Wu, Y, Itzen, A, Mueller, M.P, Goody, R.S. | | Deposit date: | 2014-05-06 | | Release date: | 2014-05-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Locking GTPases covalently in their functional states.
Nat Commun, 6, 2015
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4PPS
 | | Crystal Structure of the Estrogen Receptor alpha Ligand-binding Domain in Complex with an A-CD ring estrogen derivative | | Descriptor: | (1S,3aR,5R,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Parent, A.A, Hughes, T.S, Pollock, J.A, Gjyshi, O, Cavett, V, Nowak, J, Garcia-Ordonez, R.D, Houtman, R, Griffin, P.R, Kojetin, D.J, Katzenellenbogen, J.A, Conkright, M.D, Nettles, K.W. | | Deposit date: | 2014-02-27 | | Release date: | 2014-05-07 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.929 Å) | | Cite: | Resveratrol modulates the inflammatory response via an estrogen receptor-signal integration network.
Elife, 3, 2014
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4PVG
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2XTT
 | | Bovine trypsin in complex with evolutionary enhanced Schistocerca gregaria protease inhibitor 1 (SGPI-1-P02) | | Descriptor: | ACETATE ION, CALCIUM ION, CATIONIC TRYPSIN, ... | | Authors: | Wahlgren, W.Y, Pal, G, Kardos, J, Porrogi, P, Szenthe, B, Patthy, A, Graf, L, Katona, G. | | Deposit date: | 2010-10-12 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | The catalytic aspartate is protonated in the Michaelis complex formed between trypsin and an in vitro evolved substrate-like inhibitor: a refined mechanism of serine protease action.
J.Biol.Chem., 286, 2011
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2Y26
 | | Transmission defective mutant of Grapevine Fanleaf virus | | Descriptor: | COAT PROTEIN | | Authors: | Schellenberger, P, Sauter, C, Lorber, B, Bron, P, Trapani, S, Bergdoll, M, Marmonier, A, Schmitt-Keichinger, C, Lemaire, O, Demangeat, G, Ritzenthaler, C. | | Deposit date: | 2010-12-13 | | Release date: | 2011-06-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Insights Into Viral Determinants of Nematode Mediated Grapevine Fanleaf Virus Transmission.
Plos Pathog., 7, 2011
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5DXK
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol | | Descriptor: | 4,4'-[(9s)-bicyclo[3.3.1]non-9-ylmethanediyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-23 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.226 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DY8
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol | | Descriptor: | 4,4'-{[(3S)-3-ethylcyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-24 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.031 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DZH
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol | | Descriptor: | 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-25 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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2LRD
 | | The solution structure of the monomeric Acanthaporin | | Descriptor: | Acanthaporin | | Authors: | Michalek, M, Soennichsen, F.D, Wechselberger, R, Dingley, A.J, Wienk, H, Simanski, M, Herbst, R, Lorenzen, I, Marciano-Cabral, F, Gelhaus, C, Groetzinger, J, Leippe, M. | | Deposit date: | 2012-03-28 | | Release date: | 2012-05-02 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Structure and function of a unique pore-forming protein from a pathogenic acanthamoeba.
Nat.Chem.Biol., 9, 2013
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5E15
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with the Cyclofenil Derivative 4,4'-{[4-(2-hydroxyethyl)cyclohexylidene]methanediyl}diphenol | | Descriptor: | 4,4'-({4-[2-(4-fluorobutoxy)ethyl]cyclohexylidene}methanediyl)diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-29 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DUE
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in Complex with a para-Hydroxyl-substituted, Sulfoxide-bridged Oxabicyclic Heptene Sulfonate (SOBHS)-2 Analog 4-hydroxyphenyl (1S,2S,4S,5S,6R,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]heptane-2-sulfonate 7-oxide | | Descriptor: | 4-hydroxyphenyl (1S,2S,4S,7S)-5,6-bis(4-hydroxy-2-methylphenyl)-7-thiabicyclo[2.2.1]hept-5-ene-2-sulfonate 7-oxide, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-18 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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6QZU
 | | Getah virus macro domain | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Non-structural polyprotein | | Authors: | Ferreira Ramos, A.S, Sulzenbacher, G, Coutard, B. | | Deposit date: | 2019-03-12 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
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2YOJ
 | | HCV NS5B polymerase complexed with pyridonylindole compound | | Descriptor: | 4-fluoranyl-6-[(7-fluoranyl-4-oxidanylidene-3H-quinazolin-6-yl)methyl]-8-(2-oxidanylidene-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxylic acid, PHOSPHATE ION, RNA-DIRECTED RNA POLYMERASE | | Authors: | Chen, K.X, Venkatraman, S, Anilkumar, G.N, Zeng, Q, Lesburg, C.A, Vibulbhan, B, Yang, W, Velazquez, F, Chan, T.-Y, Bennett, F, Sannigrahi, M, Jiang, Y, Duca, J.S, Pinto, P, Gavalas, S, Huang, Y, Wu, W, Selyutin, O, Agrawal, S, Feld, B, Huang, H.-C, Li, C, Cheng, K.-C, Shih, N.-Y, Kozlowski, J.A, Rosenblum, S.B, Njoroge, F.G. | | Deposit date: | 2012-10-24 | | Release date: | 2013-10-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Discovery of Sch 900188: A Potent Hepatitis C Virus Ns5B Polymerase Inhibitor Prodrug as a Development Candidate
Acs Med.Chem.Lett., 5, 2014
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5DKG
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a t-butyl-substituted, methyl, triaryl-ethylene derivative 4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol | | Descriptor: | 4,4'-[2-(4-tert-butylphenyl)prop-1-ene-1,1-diyl]diphenol, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-03 | | Release date: | 2016-05-04 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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5DMC
 | | Crystal Structure of the ER-alpha Ligand-binding Domain in complex with a nitrile-substituted triaryl-ethylene derivative 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile | | Descriptor: | 3,3-bis(4-hydroxyphenyl)-2-phenylprop-2-enenitrile, Estrogen receptor, Nuclear receptor coactivator 2 | | Authors: | Nwachukwu, J.C, Srinivasan, S, Zheng, Y, Wang, S, Min, J, Dong, C, Liao, Z, Cavett, V, Nowak, J, Houtman, R, Carlson, K.E, Josan, J.S, Elemento, O, Katzenellenbogen, J.A, Zhou, H.B, Nettles, K.W. | | Deposit date: | 2015-09-08 | | Release date: | 2016-05-04 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.403 Å) | | Cite: | Predictive features of ligand-specific signaling through the estrogen receptor.
Mol.Syst.Biol., 12, 2016
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6R0T
 | | Getah virus macro domain in complex with ADPr in open conformation | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Non-structural polyprotein, ... | | Authors: | Ferreira Ramos, A.S, Sulzenbacher, G, Coutard, B. | | Deposit date: | 2019-03-13 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
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6R0R
 | | Getah virus macro domain in complex with ADPr covalently bond to Cys34 | | Descriptor: | 1,2-ETHANEDIOL, Non-structural polyprotein, [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate | | Authors: | Ferreira Ramos, A.S, Sulzenbacher, G, Coutard, B. | | Deposit date: | 2019-03-13 | | Release date: | 2020-04-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Snapshots of ADP-ribose bound to Getah virus macro domain reveal an intriguing choreography.
Sci Rep, 10, 2020
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