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4ILQ
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2.60A resolution structure of CT771 from Chlamydia trachomatis
分子名称: CT771, GLYCEROL, SULFATE ION
著者Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
登録日2012-12-31
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Chlamydia trachomatis CT771 (nudH) Is an Asymmetric Ap4A Hydrolase.
Biochemistry, 53, 2014
4ILO
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BU of 4ilo by Molmil
2.12A resolution structure of CT398 from Chlamydia trachomatis
分子名称: 1,2-ETHANEDIOL, CT398, ZINC ION
著者Barta, M.L, Lovell, S, Battaile, K.P, Hefty, P.S.
登録日2012-12-31
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献2.12A resolution structure of CT398 from Chlamydia trachomatis
To be Published
4JBU
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BU of 4jbu by Molmil
1.65A structure of the T3SS tip protein LcrV (G28-D322, C273S) from Yersinia pestis
分子名称: TETRAETHYLENE GLYCOL, Virulence-associated V antigen
著者Lovell, S, Chaudhury, S, Battaile, K.P, Plano, G, De Guzman, R.N.
登録日2013-02-20
公開日2013-05-08
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure of the Yersinia pestis tip protein LcrV refined to 1.65A resolution
Acta Crystallogr.,Sect.F, 69, 2013
4JPO
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BU of 4jpo by Molmil
5A resolution structure of Proteasome Assembly Chaperone Hsm3 in complex with a C-terminal fragment of Rpt1
分子名称: 26S protease regulatory subunit 7 homolog, DNA mismatch repair protein HSM3
著者Lovell, S, Battaile, K.P, Singh, R, Roelofs, J.
登録日2013-03-19
公開日2013-04-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (5 Å)
主引用文献Reconfiguration of the proteasome during chaperone-mediated assembly.
Nature, 497, 2013
4JES
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BU of 4jes by Molmil
1.6A resolution Apo structure of the hemophore HasA from Yersinia pestis (Hexagonal Form)
分子名称: HEXAETHYLENE GLYCOL, Hemophore HasA, MALONATE ION, ...
著者Kumar, R, Lovell, S, Battaile, K.P, Rivera, M.
登録日2013-02-27
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The Hemophore HasA from Yersinia pestis (HasAyp) Coordinates Hemin with a Single Residue, Tyr75, and with Minimal Conformational Change.
Biochemistry, 52, 2013
4JET
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2.2A resolution structure of Holo hemophore HasA from Yersinia pestis
分子名称: CHLORIDE ION, Hemophore HasA, PROTOPORPHYRIN IX CONTAINING FE
著者Kumar, R, Lovell, S, Battaile, K.P, Rivera, M.
登録日2013-02-27
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献The Hemophore HasA from Yersinia pestis (HasAyp) Coordinates Hemin with a Single Residue, Tyr75, and with Minimal Conformational Change.
Biochemistry, 52, 2013
4JBH
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2.2A resolution structure of cobalt and zinc bound thermostable alcohol dehydrogenase from Pyrobaculum aerophilum
分子名称: Alcohol dehydrogenase (Zinc), CHLORIDE ION, COBALT (II) ION, ...
著者Lovell, S, Battaile, K.P, Vitale, A, Throne, N, Hu, X, Shen, M, D'Auria, S, Auld, D.S.
登録日2013-02-19
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Physicochemical Characterization of a Thermostable Alcohol Dehydrogenase from Pyrobaculum aerophilum.
Plos One, 8, 2013
4JBI
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2.35A resolution structure of NADPH bound thermostable alcohol dehydrogenase from Pyrobaculum aerophilum
分子名称: Alcohol dehydrogenase (Zinc), NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION
著者Lovell, S, Battaile, K.P, Vitale, A, Throne, N, Hu, X, Shen, M, D'Auria, S, Auld, D.S.
登録日2013-02-19
公開日2013-06-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Physicochemical Characterization of a Thermostable Alcohol Dehydrogenase from Pyrobaculum aerophilum.
Plos One, 8, 2013
4JER
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BU of 4jer by Molmil
1.1A resolution Apo structure of the hemophore HasA from Yersinia pestis (Tetragonal Form)
分子名称: Hemophore HasA, SODIUM ION
著者Kumar, R, Lovell, S, Battaile, K.P, Rivera, M.
登録日2013-02-27
公開日2013-04-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The Hemophore HasA from Yersinia pestis (HasAyp) Coordinates Hemin with a Single Residue, Tyr75, and with Minimal Conformational Change.
Biochemistry, 52, 2013
4JBG
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1.75A resolution structure of a thermostable alcohol dehydrogenase from Pyrobaculum aerophilum
分子名称: Alcohol dehydrogenase (Zinc), CHLORIDE ION, PHOSPHATE ION, ...
著者Lovell, S, Battaile, K.P, Vitale, A, Throne, N, Hu, X, Shen, M, D'Auria, S, Auld, D.S.
登録日2013-02-19
公開日2013-06-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Physicochemical Characterization of a Thermostable Alcohol Dehydrogenase from Pyrobaculum aerophilum.
Plos One, 8, 2013
5C98
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1.45A resolution structure of SRPN18 from Anopheles gambiae
分子名称: AGAP007691-PB
著者Lovell, S, Battaile, K.P, Gulley, M, Zhang, X, Meekins, D.A, Gao, F.P, Michel, K.
登録日2015-06-26
公開日2016-09-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献1.45 angstrom resolution structure of SRPN18 from the malaria vector Anopheles gambiae.
Acta Crystallogr F Struct Biol Commun, 72, 2016
5D8Q
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2.20A resolution structure of BfrB (L68A) from Pseudomonas aeruginosa
分子名称: ARSENIC, Ferroxidase, MAGNESIUM ION, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8O
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1.90A resolution structure of BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa
分子名称: Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8Y
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BU of 5d8y by Molmil
2.05A resolution structure of iron bound BfrB (L68A E81A) from Pseudomonas aeruginosa
分子名称: ACETATE ION, FE (II) ION, Ferroxidase, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-18
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5DGJ
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BU of 5dgj by Molmil
1.0A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (20-mer) inhibitor
分子名称: 3C-LIKE PROTEASE, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Alliston, K.R, Weerawarna, P.M, Kankanamalage, A.C.G, Lushington, G.H, Chang, K.-O, Groutas, W.C.
登録日2015-08-27
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 59, 2016
5D8P
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BU of 5d8p by Molmil
2.35A resolution structure of iron bound BfrB (wild-type, C2221 form) from Pseudomonas aeruginosa
分子名称: ACETATE ION, FE (II) ION, Ferroxidase, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5DG6
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2.35A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (21-mer) inhibitor
分子名称: 3C-LIKE PROTEASE, CHLORIDE ION, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Alliston, K.R, Weerawarna, P.M, Kankanamalage, A.C.G, Lushington, G.H, Chang, K.-O, Groutas, W.C.
登録日2015-08-27
公開日2016-02-10
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease.
J.Med.Chem., 59, 2016
5D8S
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2.55A resolution structure of BfrB (E85A) from Pseudomonas aeruginosa
分子名称: Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8X
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1.50A resolution structure of BfrB (L68A E81A) from Pseudomonas aeruginosa
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Ferroxidase, ...
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-18
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5D8R
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BU of 5d8r by Molmil
2.50A resolution structure of BfrB (E81A) from Pseudomonas aeruginosa
分子名称: Ferroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
著者Lovell, S, Battaile, K.P, Wang, Y, Yao, H, Rivera, M.
登録日2015-08-17
公開日2015-09-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Characterization of the Bacterioferritin/Bacterioferritin Associated Ferredoxin Protein-Protein Interaction in Solution and Determination of Binding Energy Hot Spots.
Biochemistry, 54, 2015
5E0G
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BU of 5e0g by Molmil
1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (17-mer) inhibitor
分子名称: (phenylmethyl) ~{N}-[(8~{S},11~{S},14~{S})-8-(hydroxymethyl)-11-(2-methylpropyl)-5,10,13-tris(oxidanylidene)-1,4,9,12,17,18-hexazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate, CHLORIDE ION, Norovirus 3C-like protease
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Weerawarna, P.M, Kim, Y, Kankanamalage, A.C.G, Damalanka, V.C, Lushington, G.H, Alliston, K.R, Chang, K.-O, Groutas, W.C.
登録日2015-09-28
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies.
Eur.J.Med.Chem., 119, 2016
4LQT
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1.10A resolution crystal structure of a superfolder green fluorescent protein (W57A) mutant
分子名称: 1,2-ETHANEDIOL, Green fluorescent protein
著者Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J.
登録日2013-07-19
公開日2013-12-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013
5E0H
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1.95 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (18-mer) inhibitor
分子名称: (phenylmethyl) ~{N}-[(9~{S},12~{S},15~{S})-9-(hydroxymethyl)-12-(2-methylpropyl)-6,11,14-tris(oxidanylidene)-1,5,10,13,18,19-hexazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate, GLYCEROL, Norovirus 3C-like protease
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Weerawarna, P.M, Kim, Y, Kankanamalage, A.C.G, Damalanka, V.C, Lushington, G.H, Alliston, K.R, Chang, K.-O, Groutas, W.C.
登録日2015-09-28
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies.
Eur.J.Med.Chem., 119, 2016
5E0J
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1.20 A resolution structure of Norovirus 3CL protease in complex with a triazole-based macrocyclic (21-mer) inhibitor
分子名称: (phenylmethyl) ~{N}-[(12~{S},15~{S},18~{S})-15-(cyclohexylmethyl)-12-(hydroxymethyl)-9,14,17-tris(oxidanylidene)-1,8,13,16,21,22-hexazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate, CHLORIDE ION, Norovirus 3C-like protease
著者Lovell, S, Battaile, K.P, Mehzabeen, N, Weerawarna, P.M, Kim, Y, Kankanamalage, A.C.G, Damalanka, V.C, Lushington, G.H, Alliston, K.R, Chang, K.-O, Groutas, W.C.
登録日2015-09-28
公開日2016-05-04
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure-based design and synthesis of triazole-based macrocyclic inhibitors of norovirus protease: Structural, biochemical, spectroscopic, and antiviral studies.
Eur.J.Med.Chem., 119, 2016
4LQU
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BU of 4lqu by Molmil
1.60A resolution crystal structure of a superfolder green fluorescent protein (W57G) mutant
分子名称: Green fluorescent protein
著者Lovell, S, Xia, Y, Vo, B, Battaile, K.P, Egan, C, Karanicolas, J.
登録日2013-07-19
公開日2013-12-18
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
J.Am.Chem.Soc., 135, 2013

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