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6OEZ
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BU of 6oez by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-N-(Cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrro-lidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, N-(cyclobutylmethyl)-3-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-2-(1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indol-5-yl)-1,3-thiazol-4-yl}prop-2-yn-1-amine, ...
著者Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F.
登録日2019-03-28
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
2J6C
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BU of 2j6c by Molmil
crystal structure of AFV3-109, a highly conserved protein from crenarchaeal viruses
分子名称: AFV3-109, GLYCEROL
著者Keller, J, Leulliot, N, Cambillau, C, Campanacci, V, Porciero, S, Prangishvili, D, Cortez, D, Quevillon-Cheruel, S, Van Tilbeurgh, H.
登録日2006-09-27
公開日2007-02-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structure of Afv3-109, a Highly Conserved Protein from Crenarchaeal Viruses.
Virol J., 4, 2007
2JNA
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BU of 2jna by Molmil
Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109
分子名称: Putative secreted protein
著者Eletsky, A, Parish, D, Liu, G, Sukumaran, D, Jiang, M, Cunningham, K, Ma, L, Xiao, R, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2006-12-31
公開日2007-02-06
最終更新日2023-12-20
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of Salmonella typhimurium LT2 Secreted Protein STM0082: Northeast Structural Genomics Consortium Target StR109
To be Published
3K85
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BU of 3k85 by Molmil
Crystal structure of a D-glycero-D-manno-heptose 1-phosphate kinase from Bacteriodes thetaiotaomicron
分子名称: D-glycero-D-manno-heptose 1-phosphate kinase
著者Palani, K, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-10-13
公開日2009-12-08
最終更新日2021-02-10
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Crystal structure of a D-glycero-D-manno-heptose 1-phosphate kinase from Bacteriodes thetaiotaomicron
To be Published
5NF8
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BU of 5nf8 by Molmil
Solution structure of detergent-solubilized Rcf1, a yeast mitochondrial inner membrane protein involved in respiratory Complex III/IV supercomplex formation
分子名称: Respiratory supercomplex factor 1, mitochondrial
著者Zhou, S, Pettersson, P, Sjoholm, J, Sjostrand, D, Hogbom, M, Brzezinski, P, Maler, L, Adelroth, P.
登録日2017-03-13
公開日2018-02-28
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Solution NMR structure of yeast Rcf1, a protein involved in respiratory supercomplex formation.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3JY6
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BU of 3jy6 by Molmil
Crystal structure of LacI Transcriptional regulator from Lactobacillus brevis
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Transcriptional regulator, ...
著者Syed Ibrahim, B, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2009-09-21
公開日2009-10-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of LacI Transcriptional regulator from Lactobacillus brevis
To be Published
6OEX
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BU of 6oex by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor 3-(2-{1-[2-(Piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3- thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine
分子名称: 3-(2-{1-[2-(piperidin-4-yl)ethyl]-1H-indol-5-yl}-5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-yn-1-amine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F.
登録日2019-03-28
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
6OEY
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BU of 6oey by Molmil
Crystal structure of Trypanothione Reductase from Trypanosoma brucei in complex with inhibitor (+)-5-{5-[1-(Pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1-{[(2S)-pyrrolidin-2-yl]methyl}-1H-indole, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Halgas, O, De Gasparo, R, Harangozo, D, Krauth-Siegel, R.L, Diederich, F, Pai, E.F.
登録日2019-03-28
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Targeting a Large Active Site: Structure-Based Design of Nanomolar Inhibitors of Trypanosoma brucei Trypanothione Reductase.
Chemistry, 25, 2019
3J9X
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BU of 3j9x by Molmil
A Virus that Infects a Hyperthermophile Encapsidates A-Form DNA
分子名称: DNA, coat protein
著者DiMaio, F, Yu, X, Rensen, E, Krupovic, M, Prangishvili, D, Egelman, E.
登録日2015-03-21
公開日2015-06-03
最終更新日2024-02-21
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献A virus that infects a hyperthermophile encapsidates A-form DNA.
Science, 348, 2015
6PCW
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BU of 6pcw by Molmil
Human PIM1 bound to benzothiophene inhibitor 213
分子名称: 4-[5-(cyclopropylcarbamoyl)thiophen-2-yl]-1-benzothiophene-2-carboxamide, GLYCEROL, Peptide, ...
著者Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-18
公開日2019-07-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献PIM1 bound to benzothiophene inhibitor
To Be Published
6PK6
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BU of 6pk6 by Molmil
Human PRPF4B bound to benzothiophene inhibitor 329
分子名称: 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog
著者Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-28
公開日2019-08-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献to be published
To Be Published
5OC0
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BU of 5oc0 by Molmil
Structure of E. coli superoxide oxidase
分子名称: Cytochrome b561, GLYCEROL, MAGNESIUM ION, ...
著者Lundgren, C.A.K, Sjostrand, D, Biner, O, Bennett, M, von Ballmoos, C, Hogbom, M.
登録日2017-06-29
公開日2018-06-20
最終更新日2018-11-07
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Scavenging of superoxide by a membrane-bound superoxide oxidase.
Nat. Chem. Biol., 14, 2018
6PDN
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BU of 6pdn by Molmil
Human PIM1 bound to benzothiophene inhibitor 292
分子名称: 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxylic acid, GLYCEROL, Serine/threonine-protein kinase pim-1, ...
著者Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-19
公開日2019-07-24
最終更新日2020-01-01
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human PIM1
To Be Published
6PDO
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BU of 6pdo by Molmil
Human PIM1 bound to benzothiophene inhibitor 354
分子名称: 4-{5-[(3-aminopropyl)carbamoyl]thiophen-2-yl}-1-benzothiophene-2-carboxamide, Peptide, Serine/threonine-protein kinase pim-1
著者Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC)
登録日2019-06-19
公開日2019-07-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Human PIM1
To Be Published
6BIT
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BU of 6bit by Molmil
SIRPalpha antibody complex
分子名称: KWAR23 Fab heavy chain, KWAR23 Fab light chain, Tyrosine-protein phosphatase non-receptor type substrate 1
著者Ring, N.G, Herndler-Brandstetter, D, Weiskopf, K, Shan, L, Volkmer, J.P, George, B.M, Lietzenmayer, M, McKenna, K.M, Naik, T.J, McCarty, A, Zheng, Y, Ring, A.M, Flavell, R.A, Weissman, I.L.
登録日2017-11-03
公開日2017-12-06
最終更新日2019-11-20
実験手法X-RAY DIFFRACTION (2.191 Å)
主引用文献Anti-SIRP alpha antibody immunotherapy enhances neutrophil and macrophage antitumor activity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6GW7
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BU of 6gw7 by Molmil
The CTD of HpDprA, a DNA binding Winged Helix domain which do not bind dsDNA
分子名称: DNA protecting protein DprA
著者Lisboa, J, Celma, L, Sanchez, D, Marquis, M, Andreani, J, Guerois, R, Ochsenbein, F, Durand, D, Marsin, S, Cuniasse, P, Radicella, J.P, Quevillon-Cheruel, S.
登録日2018-06-22
公開日2019-04-24
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献The C-terminal domain of HpDprA is a DNA-binding winged helix domain that does not bind double-stranded DNA.
Febs J., 286, 2019
5NIW
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BU of 5niw by Molmil
Glucose oxydase mutant A2
分子名称: 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Hoffmann, K, Frank, D.
登録日2017-03-27
公開日2017-11-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.
ACS Catal, 7, 2017
7K9P
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BU of 7k9p by Molmil
Room temperature structure of NSP15 Endoribonuclease from SARS CoV-2 solved using SFX.
分子名称: CITRIC ACID, Uridylate-specific endoribonuclease
著者Botha, S, Jernigan, R, Chen, J, Coleman, M.A, Frank, M, Grant, T.D, Hansen, D.T, Ketawala, G, Logeswaran, D, Martin-Garcia, J, Nagaratnam, N, Raj, A.L.L.X, Shelby, M, Yang, J.-H, Yung, M.C, Fromme, P.
登録日2020-09-29
公開日2020-10-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Room-temperature structural studies of SARS-CoV-2 protein NendoU with an X-ray free-electron laser.
Structure, 2022
2KAT
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BU of 2kat by Molmil
Solution structure of protein BPP2914 from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR206
分子名称: uncharacterized protein
著者Wu, Y, Mills, J.L, Wang, D, Jiang, M, Foote, E.L, Xiao, R, Sathyamoorthy, B, Sukumaran, D, Nair, R, Everett, J.K, Swapna, G, Acton, T.B, Rost, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2008-11-14
公開日2008-12-16
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution structure of protein BPP2914 from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR206
To be Published
2MRA
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BU of 2mra by Molmil
Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR459
分子名称: De novo designed protein OR459
著者Pulavarti, S.V.S.R.K, Kipnis, Y, Sukumaran, D, Maglaqui, M, Janjua, H, Mao, L, Xiao, R, Kornhaber, G, Baker, D, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2014-07-02
公開日2014-09-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Solution NMR Structure of De novo designed protein, Northeast Structural Genomics Consortium (NESG) Target OR459
To be Published
3AQ1
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BU of 3aq1 by Molmil
Open state monomer of a group II chaperonin from methanococcoides burtonii
分子名称: Thermosome subunit
著者Harrop, S.J, Pilak, O, Siddiqui, K.S, De Francisci, D, Burg, D, Williams, T.J, Cavicchioli, R, Curmi, P.M.
登録日2010-10-24
公開日2011-09-14
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.746 Å)
主引用文献Chaperonins from an Antarctic archaeon are predominantly monomeric: crystal structure of an open state monomer.
ENVIRON.MICROBIOL., 13, 2011
1TGU
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BU of 1tgu by Molmil
The crystal structure of bovine liver catalase without NADPH
分子名称: Catalase, PROTOPORPHYRIN IX CONTAINING FE
著者Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K.
登録日2004-05-31
公開日2005-07-05
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献The crystal structure of bovine liver catalase
TO BE PUBLISHED
1XN9
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BU of 1xn9 by Molmil
Solution Structure of Methanosarcina mazei Protein RPS24E: The Northeast Structural Genomics Consortium Target MaR11
分子名称: 30S ribosomal protein S24e
著者Liu, G, Xiao, R, Parish, D, Ma, L, Sukumaran, D, Acton, T, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2004-10-04
公開日2004-12-14
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution Structure of Methanosarcina mazei Protein RPS24E: The Northeast Structural Genomics Consortium Target MaR11
To be Published
2KPJ
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BU of 2kpj by Molmil
Solution Structure Of Protein SOS-response transcriptional repressor, LexA From Eubacterium rectale. Northeast Structural Genomics Consortium Target ErR9A
分子名称: SOS-response transcriptional repressor, LexA
著者Wu, Y, Eletsky, A, Lee, D, Ghosh, A, Buchwald, W, Zhang, Q, Janjua, H, Garcia, E, Nair, R, Sukumaran, D, Rost, B, Acton, T, Xiao, R, Everett, J, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
登録日2009-10-16
公開日2009-11-17
最終更新日2024-05-08
実験手法SOLUTION NMR
主引用文献Solution Structure Of Protein SOS-response transcriptional repressor, LexA From Eubacterium rectale. Northeast Structural Genomics Consortium Target ErR9A
To be Published
1U02
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BU of 1u02 by Molmil
Crystal structure of trehalose-6-phosphate phosphatase related protein
分子名称: GLYCEROL, MAGNESIUM ION, SODIUM ION, ...
著者Krishnamurthy, N.R, Kumaran, D, Swaminathan, S, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2004-07-12
公開日2004-07-20
最終更新日2021-02-03
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure of trehalose-6-phosphate phosphatase-related protein: biochemical and biological implications.
Protein Sci., 15, 2006

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