6DR7
 
 | | YopH PTP1B WPD loop Chimera 2 PTPase bound to vanadate | | Descriptor: | ACETATE ION, Targeted effector protein, VANADATE ION | | Authors: | Moise, G, Morales, Y, Johnson, S.J, Hengge, A.C. | | Deposit date: | 2018-06-11 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.849 Å) | | Cite: | A YopH PTP1B Chimera Shows the Importance of the WPD-Loop Sequence to the Activity, Structure, and Dynamics of Protein Tyrosine Phosphatases.
Biochemistry, 57, 2018
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6DE8
 | | Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase from Campylobacter jejuni | | Descriptor: | Bifunctional protein FolD, CHLORIDE ION, GLYCEROL, ... | | Authors: | Kim, Y, Makowska-Grzyska, M, Zhang, R, Peterson, S.N, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-05-11 | | Release date: | 2018-05-30 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (2.104 Å) | | Cite: | Crystal Structure of Bifunctional Enzyme FolD-Methylenetetrahydrofolate Dehydrogenase/Cyclohydrolase from Campylobacter jejuni
To Be Published
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2VXS
 | | Structure of IL-17A in complex with a potent, fully human neutralising antibody | | Descriptor: | FAB FRAGMENT, INTERLEUKIN-17A, SULFATE ION | | Authors: | Gerhardt, S, Hargreaves, D, Pauptit, R.A, Davies, R.A, Russell, C, Welsh, F, Tuske, S.J, Coales, S.J, Hamuro, Y, Needham, M.R.C, Langham, C, Barker, W, Bell, P, Aziz, A, Smith, M.J, Dawson, S, Abbott, W.M. | | Deposit date: | 2008-07-09 | | Release date: | 2009-07-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.63 Å) | | Cite: | Structure of Il-17A in Complex with a Potent, Fully Human Neutralising Antibody.
J.Mol.Biol., 394, 2009
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2XXI
 | | Crystal structure of 1-((4-(3-(trifluoromethyl)-6,7-dihydropyrano(4,3- c(pyrazol-1(4H)-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.6A resolution. | | Descriptor: | 1-({4-[3-(TRIFLUOROMETHYL)-6,7-DIHYDROPYRANO[4,3-C]PYRAZOL-1(4H)-YL]PHENYL}METHYL)-2-PYRROLIDINONE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | Deposit date: | 2010-11-10 | | Release date: | 2011-04-06 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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2XX9
 | | Crystal structure of 1-((2-fluoro-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)phenyl)methyl)-2-pyrrolidinone in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | | Descriptor: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ... | | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | Deposit date: | 2010-11-09 | | Release date: | 2011-04-06 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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7W2S
 | | Crystal structure of TxGH116 E730A mutant from Thermoanaerobacterium xylanolyticum with glucose | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R. | | Deposit date: | 2021-11-24 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116.
Catalysts, 12, 2022
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7W2T
 | | Crystal structure of TxGH116 E730Q mutant from Thermoanaerobacterium xylanolyticum with glucose | | Descriptor: | CALCIUM ION, GLYCEROL, Glucosylceramidase, ... | | Authors: | Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R. | | Deposit date: | 2021-11-24 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116.
Catalysts, 12, 2022
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7W2V
 | | Crystal structure of TxGH116 R786A mutant from Thermoanaerobacterium xylanolyticum with glucose | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Huang, M, Pengthaisong, S, Charoenwattanasatien, R, Jitonnom, J, Ketudat Cairns, J.R. | | Deposit date: | 2021-11-24 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Systematic Functional and Computational Analysis of Glucose-Binding Residues in Glycoside Hydrolase Family GH116.
Catalysts, 12, 2022
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6DR9
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2XX7
 | | Crystal structure of 1-(4-(1-pyrrolidinylcarbonyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | | Descriptor: | 1-[4-(1-PYRROLIDINYLCARBONYL)PHENYL]-3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | Deposit date: | 2010-11-09 | | Release date: | 2011-04-06 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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2XXH
 | | Crystal structure of 1-(4-(2-oxo-2-(1-pyrrolidinyl)ethyl)phenyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 1.5A resolution. | | Descriptor: | 1-{4-[2-OXO-2-(1-PYRROLIDINYL)ETHYL]PHENYL}-3-( TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | Deposit date: | 2010-11-10 | | Release date: | 2011-04-06 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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2XX8
 | | Crystal structure of N,N-dimethyl-4-(3-(trifluoromethyl)-4,5,6,7- tetrahydro-1H-indazol-1-yl)benzamide in complex with the ligand binding domain of the Rat GluA2 receptor and glutamate at 2.2A resolution. | | Descriptor: | GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, N,N-DIMETHYL-4-[3-(TRIFLUOROMETHYL)-4,5,6,7-TETRAHYDRO-1H-INDAZOL-1-YL]BENZAMIDE, ... | | Authors: | Ward, S.E, Harries, M, Aldegheri, L, Austin, N.E, Ballantine, S, Ballini, E, Bradley, D.M, Bax, B.D, Clarke, B.P, Harris, A.J, Harrison, S.A, Melarange, R.A, Mookherjee, C, Mosley, J, DalNegro, G, Oliosi, B, Smith, K.J, Thewlis, K.M, Woollard, P.M, Yusaf, S.P. | | Deposit date: | 2010-11-09 | | Release date: | 2011-04-27 | | Last modified: | 2011-09-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Integration of Lead Optimization with Crystallography for a Membrane-Bound Ion Channel Target: Discovery of a New Class of Ampa Receptor Positive Allosteric Modulators.
J.Med.Chem., 54, 2011
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6DT6
 | | Crystal Structure of the YopH PTP1B Chimera 3 PTPase bound to vanadate | | Descriptor: | Targeted effector protein, VANADATE ION | | Authors: | Morales, Y, Johnson, S.J, Hengge, A.C. | | Deposit date: | 2018-06-15 | | Release date: | 2018-08-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.101 Å) | | Cite: | A YopH PTP1B Chimera Shows the Importance of the WPD-Loop Sequence to the Activity, Structure, and Dynamics of Protein Tyrosine Phosphatases.
Biochemistry, 57, 2018
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3RH4
 | | DNA Polymerase Beta with a dideoxy-terminated primer with an incoming ribonucleotide (rCTP) | | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DDG))-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | | Authors: | Cavanaugh, N.A, Beard, W.A, Batra, V.K, Perera, L, Pedersen, L.G, Wilson, S.H. | | Deposit date: | 2011-04-11 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.918 Å) | | Cite: | Molecular insights into DNA polymerase deterrents for ribonucleotide insertion.
J.Biol.Chem., 286, 2011
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6C7L
 | | Structure of Iron containing alcohol dehydrogenase from Thermococcus thioreducens in a tetragonal crystal form | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Jones, J.A, Larson, S.B, McPherson, A. | | Deposit date: | 2018-01-22 | | Release date: | 2019-02-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | The structure of an iron-containing alcohol dehydrogenase from a hyperthermophilic archaeon in two chemical states.
Acta Crystallogr F Struct Biol Commun, 75, 2019
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6N6L
 | | Crystal Structure of ATPase delta 1-79 Spa47 R189A R191A mutant | | Descriptor: | ATP synthase SpaL/MxiB, SULFATE ION | | Authors: | Morales, Y, Johnson, S.J, Demler, H.J, Dickenson, N.E. | | Deposit date: | 2018-11-26 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Interfacial amino acids support Spa47 oligomerization and shigella type three secretion system activation.
Proteins, 87, 2019
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6N74
 | | Crystal Structure of ATPase delta1-79 Spa47 R271E | | Descriptor: | ATP synthase SpaL/MxiB, SULFATE ION | | Authors: | Morales, Y, Johnson, S.J, Demler, H.J, Dickenson, N.E. | | Deposit date: | 2018-11-27 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.852 Å) | | Cite: | Interfacial amino acids support Spa47 oligomerization and shigella type three secretion system activation.
Proteins, 87, 2019
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6N6M
 | | Crystal Structure of ATPase delta1-79 Spa47 R189A | | Descriptor: | ATP synthase SpaL/MxiB, SULFATE ION | | Authors: | Morales, Y, Johnson, S.J, Demler, H.J, Dickenson, N.E. | | Deposit date: | 2018-11-26 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.788 Å) | | Cite: | Interfacial amino acids support Spa47 oligomerization and shigella type three secretion system activation.
Proteins, 87, 2019
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4R65
 | | Ternary complex crystal structure of R258A mutant of DNA polymerase Beta | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, CHLORIDE ION, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), ... | | Authors: | Batra, V.K, Beard, W.A, Wilson, S.H. | | Deposit date: | 2014-08-22 | | Release date: | 2014-10-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Substrate-induced DNA Polymerase beta Activation.
J.Biol.Chem., 289, 2014
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3RH5
 | | DNA Polymerase Beta Mutant (Y271) with a dideoxy-terminated primer with an incoming deoxynucleotide (dCTP) | | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DDG))-3', ... | | Authors: | Cavanaugh, N.A, Beard, W.A, Batra, V.K, Perera, L, Pedersen, L.G, Wilson, S.H. | | Deposit date: | 2011-04-11 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Molecular insights into DNA polymerase deterrents for ribonucleotide insertion.
J.Biol.Chem., 286, 2011
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3RH6
 | | DNA Polymerase Beta Mutant (Y271) with a dideoxy-terminated primer with an incoming ribonucleotide (rCTP) | | Descriptor: | (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(DDG))-3'), (5'-D(P*GP*TP*CP*GP*G)-3'), 5'-D(*CP*CP*GP*AP*CP*GP*CP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', ... | | Authors: | Cavanaugh, N.A, Beard, W.A, Batra, V.K, Perera, L, Pedersen, L.G, Wilson, S.H. | | Deposit date: | 2011-04-11 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.048 Å) | | Cite: | Molecular insights into DNA polymerase deterrents for ribonucleotide insertion.
J.Biol.Chem., 286, 2011
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2VVG
 | | Crystal Structure of the G.intestinalis Kinesin 2 GiKIN2a Motor Domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, KINESIN-2, MAGNESIUM ION | | Authors: | Hoeng, J.C, Loewe, J, Dawson, S.C, Cande, W.Z, Sagolla, M.S, Mancuso, J.J. | | Deposit date: | 2008-06-08 | | Release date: | 2008-07-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | High-Resolution Crystal Structure and in Vivo Function of a Kinesin-2 Homologue in Giardia Intestinalis.
Mol.Biol.Cell, 19, 2008
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7TKV
 | | Crystal Structure of the Thioredox_DsbH Domain-Containing Uncharacterized Protein Bab1_2064 from Brucella abortus | | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | | Authors: | Kim, Y, Crawford, M, Endres, M, Babnigg, G, Crosson, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2022-01-17 | | Release date: | 2022-01-26 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal Structure of the Thioredox_DsbH Domain-Containing Uncharacterized Protein Bab1_2064 from Brucella abortus
To Be Published
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4GH5
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4O9M
 | | Human DNA polymerase beta complexed with adenylated tetrahydrofuran (abasic site) containing DNA | | Descriptor: | (5'-D(P*GP*TP*CP*GP*G)-3');, DNA (5'-D(*CP*CP*GP*AP*CP*AP*GP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3'), ... | | Authors: | Caglayan, M, Batra, V.K, Sassa, A, Prasad, R, Wilson, S.H. | | Deposit date: | 2014-01-02 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Role of polymerase beta in complementing aprataxin deficiency during abasic-site base excision repair.
Nat.Struct.Mol.Biol., 21, 2014
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