5XJA
 
 | | The Crystal Structure of the Minimal Core Domain of the Microtubule Depolymerizer KIF2C Complexed with ADP-Mg-AlFx | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, Kinesin-like protein KIF2C, ... | | Authors: | Ogawa, T, Jiang, X, Hirokawa, N. | | Deposit date: | 2017-04-30 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.43 Å) | | Cite: | Mechanism of Catalytic Microtubule Depolymerization via KIF2-Tubulin Transitional Conformation
Cell Rep, 20, 2017
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7VC2
 | | Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in Complex with inhibitor L96 and L-proline in space group P21 | | Descriptor: | 1,2-ETHANEDIOL, 4-[(3S)-3-cyano-3-cyclopropyl-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(5-methoxypyridin-3-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide, CHLORIDE ION, ... | | Authors: | Yogavel, M, Malhotra, N, Sharma, A. | | Deposit date: | 2021-09-01 | | Release date: | 2022-09-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.096 Å) | | Cite: | Targeting prolyl-tRNA synthetase via a series of ATP-mimetics to accelerate drug discovery against toxoplasmosis.
Plos Pathog., 19, 2023
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5XJB
 | | The Crystal Structure of the Minimal Core Domain of the Microtubule Depolymerizer KIF2C Complexed with ADP-Mg-BeFx | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, Kinesin-like protein KIF2C, ... | | Authors: | Ogawa, T, Jiang, X, Hirokawa, N. | | Deposit date: | 2017-04-30 | | Release date: | 2017-09-13 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Mechanism of Catalytic Microtubule Depolymerization via KIF2-Tubulin Transitional Conformation
Cell Rep, 20, 2017
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3ZSC
 | | Catalytic function and substrate recognition of the pectate lyase from Thermotoga maritima | | Descriptor: | 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid, GLYCEROL, PECTATE TRISACCHARIDE-LYASE, ... | | Authors: | McDonough, M.A, Thymark, M, Frisner, H, Hotchkiss, A, Sonksen, C, Bjornvad, M, Johansen, K.S, Larsen, S. | | Deposit date: | 2011-06-24 | | Release date: | 2012-07-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Catalytic Function and Substrate Recognition of the Pectate Lyase from Thermotoga Maritima
To be Published
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5YCH
 | | Ancestral myoglobin aMbWb of Basilosaurus relative (monophyly) | | Descriptor: | Ancestral myoglobin aMbWb of Basilosaurus relative (monophyly), PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T. | | Deposit date: | 2017-09-07 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.354 Å) | | Cite: | Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
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5YCG
 | | Ancestral myoglobin aMbWp of Pakicetus relative | | Descriptor: | Ancestral myoglobin aMbWp of Pakicetus relative, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T. | | Deposit date: | 2017-09-07 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
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5YCI
 | | Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly) | | Descriptor: | Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T. | | Deposit date: | 2017-09-07 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
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5YCE
 | | Sperm whale myoglobin swMb | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION | | Authors: | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T. | | Deposit date: | 2017-09-07 | | Release date: | 2018-09-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.77 Å) | | Cite: | Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
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5YCJ
 | | Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly) imidazole-ligand | | Descriptor: | Ancestral myoglobin aMbWb' of Basilosaurus relative (polyphyly), IMIDAZOLE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Isogai, Y, Imamura, H, Nakae, S, Sumi, T, Takahashi, K, Nakagawa, T, Tsuneshige, A, Shirai, T. | | Deposit date: | 2017-09-07 | | Release date: | 2018-09-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Tracing whale myoglobin evolution by resurrecting ancient proteins.
Sci Rep, 8, 2018
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4ZNE
 | | IgG1 Fc-FcgammaRI ecd complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Oganesyan, V.Y, Dall'Acqua, W.F. | | Deposit date: | 2015-05-04 | | Release date: | 2015-11-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Structural insights into the interaction of human IgG1 with Fc gamma RI: no direct role of glycans in binding.
Acta Crystallogr.,Sect.D, 71, 2015
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4ATW
 | | The crystal structure of Arabinofuranosidase | | Descriptor: | ALPHA-L-ARABINOFURANOSIDASE DOMAIN PROTEIN | | Authors: | Dumbrepatil, A, Song, H.-N, Jung, T.-Y, Kim, T.-J, Woo, E.-J. | | Deposit date: | 2012-05-10 | | Release date: | 2012-05-23 | | Last modified: | 2013-01-09 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural Analysis of Alpha-L-Arabinofuranosidase from Thermotoga Maritima Reveals Characteristics for Thermostability and Substrate Specificity.
J.Microbiol.Biotech., 22, 2012
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1KUT
 | | Structural Genomics, Protein TM1243, (SAICAR synthetase) | | Descriptor: | Phosphoribosylaminoimidazole-succinocarboxamide synthase | | Authors: | Zhang, R, Skarina, T, Beasley, S, Edwards, A, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2002-01-22 | | Release date: | 2002-08-14 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of SAICAR synthase from Thermotoga maritima at 2.2 angstroms reveals an unusual covalent dimer.
Acta Crystallogr.,Sect.F, 62, 2006
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1MRZ
 | | Crystal structure of a flavin binding protein from Thermotoga Maritima, TM379 | | Descriptor: | CITRIC ACID, Riboflavin kinase/FMN adenylyltransferase | | Authors: | Wang, W, Kim, R, Jancarik, J, Yokota, H, Kim, S.-H, Berkeley Structural Genomics Center (BSGC) | | Deposit date: | 2002-09-19 | | Release date: | 2003-09-23 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a flavin-binding protein from Thermotoga Maritima
Proteins, 52, 2003
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7RC3
 | | Aeronamide N-methyltransferase, AerE (Y137F) | | Descriptor: | ASPARTIC ACID, CALCIUM ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | | Deposit date: | 2021-07-07 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7RC4
 | | Aeronamide N-methyltransferase, AerE (D141A) | | Descriptor: | CALCIUM ION, HEXAETHYLENE GLYCOL, Methyltransferase family protein, ... | | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | | Deposit date: | 2021-07-07 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7RC6
 | | Aeronamide N-methyltransferase, AerE, bound to modified peptide substrate, AerA-DL,34 | | Descriptor: | Aeronamide A peptide, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | | Deposit date: | 2021-07-07 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7RC5
 | | Aeronamide N-methyltransferase, AerE (N231A) | | Descriptor: | CALCIUM ION, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | | Deposit date: | 2021-07-07 | | Release date: | 2022-03-30 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
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7RC2
 | | Aeronamide N-methyltransferase, AerE | | Descriptor: | CALCIUM ION, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | | Deposit date: | 2021-07-07 | | Release date: | 2022-03-30 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6E6Y
 | | Dieckmann cyclase, NcmC | | Descriptor: | Dieckmann cyclase, NcmC, SULFATE ION | | Authors: | Cogan, D.P, Nair, S.K. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural Basis for Enzymatic Off-Loading of Hybrid Polyketides by Dieckmann Condensation.
Acs Chem.Biol., 2020
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6E6U
 | | Variant C89S of Dieckmann cyclase, NcmC | | Descriptor: | Dieckmann cyclase, NcmC, SULFATE ION | | Authors: | Cogan, D.P, Nair, S.K. | | Deposit date: | 2018-07-25 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural Basis for Enzymatic Off-Loading of Hybrid Polyketides by Dieckmann Condensation.
Acs Chem.Biol., 2020
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4CHZ
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3(2H)-one, ACETATE ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-05 | | Release date: | 2013-12-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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4CGD
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4CHY
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 5-(1H-indol-3-ylmethyl)-1,3-benzodioxole-4-carboxylic acid, ACETIC ACID, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-04 | | Release date: | 2013-12-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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4CIG
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 2-methoxy-6-[[[3-[(4-methoxyphenyl)methylcarbamoyl]naphthalen-2-yl]methyl-methyl-amino]methyl]benzoic acid, ACETATE ION, INTEGRASE, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-07 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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4CJE
 | | Interrogating HIV integrase for compounds that bind- a SAMPL challenge | | Descriptor: | 5-[(2S)-2-[[2-(1H-imidazol-4-yl)ethanoylamino]methyl]-4-methyl-pentyl]-1,3-benzodioxole-4-carboxylic acid, ACETATE ION, CHLORIDE ION, ... | | Authors: | Peat, T.S. | | Deposit date: | 2013-12-19 | | Release date: | 2014-01-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.
J.Comput.Aided Mol.Des., 28, 2014
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