4HY3
 
 | | Crystal structure of a phosphoglycerate oxidoreductase from rhizobium etli | | Descriptor: | phosphoglycerate oxidoreductase | | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-11-12 | | Release date: | 2012-12-12 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of a phosphoglycerate oxidoreductase from rhizobium etli
To be Published
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4M1A
 | | Crystal structure of a Domain of unknown function (DUF1904) from Sebaldella termitidis ATCC 33386 | | Descriptor: | Hypothetical protein | | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-08-02 | | Release date: | 2013-08-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of a Domain of unknown function (DUF1904) from Sebaldellatermitidis ATCC 33386
To be Published
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4Q3F
 | | Human D-DT complexed with tartrate | | Descriptor: | D-dopachrome decarboxylase, L(+)-TARTARIC ACID | | Authors: | Rajasekaran, D, Lolis, E. | | Deposit date: | 2014-04-11 | | Release date: | 2014-06-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Targeting distinct tautomerase sites of D-DT and MIF with a single molecule for inhibition of neutrophil lung recruitment.
Faseb J., 28, 2014
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7K40
 | | Crystal Structure of SARS-CoV-2 Main Protease (3CLpro/Mpro) in Complex with Covalent Inhibitor Boceprevir at 1.35 A Resolution | | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE, boceprevir (bound form) | | Authors: | Kumaran, D, Andi, B, Kreitler, D.F, Soares, A.S, Shi, W, Jakoncic, J, Fuchs, M.R, Keereetaweep, J, Shanklin, J, McSweeney, S. | | Deposit date: | 2020-09-14 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Hepatitis C virus NS3/4A inhibitors and other drug-like compounds as covalent binders of SARS-CoV-2 main protease.
Sci Rep, 12, 2022
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4QB5
 | | Crystal structure of a glyoxalase/bleomycin resistance protein from Albidiferax ferrireducens T118 | | Descriptor: | 1,2-ETHANEDIOL, Glyoxalase/bleomycin resistance protein/dioxygenase, SULFATE ION | | Authors: | Kumaran, D, Chamala, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Al Obaidi, N, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2014-05-06 | | Release date: | 2014-07-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Crystal structure of a glyoxalase/bleomycin resistance protein from Albidiferax ferrireducens T118
To be Published
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4DUP
 | | Crystal Structure of a quinone oxidoreductase from Rhizobium etli CFN 42 | | Descriptor: | quinone oxidoreductase | | Authors: | Kumaran, D, Rice, S, Evans, B, Foti, R, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Seidel, R, Villigas, G, Zencheck, W, Almo, S.C, Swaminathan, S, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2012-02-22 | | Release date: | 2012-03-07 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal Structure of a quinone oxidoreductase from Rhizobium etli CFN 42
To be Published
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7OK0
 | | Cryo-EM structure of the Sulfolobus acidocaldarius RNA polymerase at 2.88 A | | Descriptor: | Conserved protein, DNA-directed RNA polymerase subunit A', DNA-directed RNA polymerase subunit A'', ... | | Authors: | Pilotto, S, Fouqueau, T, Lukoyanova, N, Sheppard, C, Lucas-Staat, S, Diaz-Santin, L.M, Matelska, D, Prangishvili, D, Cheung, A.C.M, Werner, F. | | Deposit date: | 2021-05-17 | | Release date: | 2021-08-25 | | Last modified: | 2021-10-13 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of RNA polymerase inhibition by viral and host factors.
Nat Commun, 12, 2021
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1TH3
 | | Crystal structure of NADPH depleted bovine live catalase complexed with cyanide | | Descriptor: | CYANIDE ION, Catalase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sugadev, R, Balasundaresan, D, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K. | | Deposit date: | 2004-06-01 | | Release date: | 2005-07-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The crystal structure of bovine liver catalase
TO BE PUBLISHED
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6W8U
 | | Cryo-EM of the Pyrobaculum arsenaticum pilus | | Descriptor: | pilin | | Authors: | Wang, F, Baquero, D.P, Su, Z, Beltran, L.C, Prangishvili, D, Krupovic, M, Egelman, E.H. | | Deposit date: | 2020-03-21 | | Release date: | 2020-07-08 | | Last modified: | 2021-10-06 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | The structures of two archaeal type IV pili illuminate evolutionary relationships.
Nat Commun, 11, 2020
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6W8X
 | | Cryo-EM of the S. solfataricus pilus | | Descriptor: | pilin | | Authors: | Wang, F, Baquero, D.P, Su, Z, Beltran, L.C, Prangishvili, D, Krupovic, M, Egelman, E.H. | | Deposit date: | 2020-03-21 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The structures of two archaeal type IV pili illuminate evolutionary relationships.
Nat Commun, 11, 2020
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1T3A
 | | Crystal structure of Clostridium botulinum neurotoxin type E catalytic domain | | Descriptor: | CHLORIDE ION, ZINC ION, neurotoxin type E | | Authors: | Agarwal, R, Eswaramoorthy, S, Kumaran, D, Binz, T, Swaminathan, S. | | Deposit date: | 2004-04-26 | | Release date: | 2004-06-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Structural analysis of botulinum neurotoxin type E catalytic domain and its mutant Glu212-->Gln reveals the pivotal role of the Glu212 carboxylate in the catalytic pathway
Biochemistry, 43, 2004
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1T3C
 | | Clostridium botulinum type E catalytic domain E212Q mutant | | Descriptor: | CHLORIDE ION, ZINC ION, neurotoxin type E | | Authors: | Agarwal, R, Eswaramoorthy, S, Kumaran, D, Binz, T, Swaminathan, S. | | Deposit date: | 2004-04-26 | | Release date: | 2004-06-29 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural analysis of botulinum neurotoxin type E catalytic domain and its mutant Glu212-->Gln reveals the pivotal role of the Glu212 carboxylate in the catalytic pathway
Biochemistry, 43, 2004
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1TH4
 | | crystal structure of NADPH depleted bovine liver catalase complexed with 3-amino-1,2,4-triazole | | Descriptor: | 3-AMINO-1,2,4-TRIAZOLE, Catalase, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sugadev, R, Ponnuswamy, M.N, Kumaran, D, Swaminathan, S, Sekar, K. | | Deposit date: | 2004-06-01 | | Release date: | 2005-07-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | crystal structure of bovine liver catalase
TO BE PUBLISHED
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1T6F
 | | Crystal Structure of the Coiled-coil Dimerization Motif of Geminin | | Descriptor: | Geminin | | Authors: | Thepaut, M, Maiorano, D, Guichou, J.-F, Auge, M.-T, Dumas, C, Mechali, M, Padilla, A. | | Deposit date: | 2004-05-06 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Crystal Structure of the Coiled-coil Dimerization Motif of Geminin: Structural and Functional Insights on DNA Replication Regulation
J.Mol.Biol., 342, 2004
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6PJJ
 | | Human PRPF4B bound to benzothiophene inhibitor 224 | | Descriptor: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, PHOSPHATE ION, ... | | Authors: | 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) | | Deposit date: | 2019-06-28 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | to be published
To Be Published
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6PDI
 | | Human PIM1 bound to benzothiophene inhibitor 224 | | Descriptor: | 1,2-ETHANEDIOL, 4-(5-{[(3-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, GLYCEROL, ... | | Authors: | Godoi, P.H.C, Fala, A.M, Santiago, A.S, 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) | | Deposit date: | 2019-06-19 | | Release date: | 2019-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Human PIM1
To Be Published
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6PDP
 | | Human PIM1 bound to benzothiophene inhibitor 379 | | Descriptor: | 5-[2-(acetylamino)-1-benzothiophen-4-yl]-N-cyclopropylthiophene-2-carboxamide, Peptide, SULFATE ION, ... | | Authors: | Godoi, P.H.C, Sriranganadane, D, Santiago, A.S, Fala, A.M, Ramos, P.Z, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-06-19 | | Release date: | 2019-07-24 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Human PIM1
To Be Published
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2J6B
 | | crystal structure of AFV3-109, a highly conserved protein from crenarchaeal viruses | | Descriptor: | AFV3-109 | | Authors: | Keller, J, Leulliot, N, Cambillau, C, Campanacci, V, Porciero, S, Prangishvili, D, Cortez, D, Quevillon-Cheruel, S, Van Tilbeurgh, H. | | Deposit date: | 2006-09-27 | | Release date: | 2007-02-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Crystal Structure of Afv3-109, a Highly Conserved Protein from Crenarchaeal Viruses.
Virol J., 4, 2007
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4UWF
 | | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | | Descriptor: | (8S)-9-[3,5-bis(fluoranyl)phenyl]-2-morpholin-4-yl-8-(trifluoromethyl)-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3 | | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | | Deposit date: | 2014-08-12 | | Release date: | 2014-11-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
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4UWG
 | | Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors | | Descriptor: | (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION | | Authors: | Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B. | | Deposit date: | 2014-08-12 | | Release date: | 2014-11-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxobutyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
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2W8G
 | | Aplysia californica AChBP bound to in silico compound 35 | | Descriptor: | (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Ulens, C, Akdemir, A, Jongejan, A, van Elk, R, Edink, E, Bertrand, S, Perrakis, A, Leurs, R, Smit, A.B, Sixma, T.K, Bertrand, D, de Esch, I.J. | | Deposit date: | 2009-01-16 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Use of Acetylcholine Binding Protein in the Search for Novel Alpha7 Nicotinic Receptor Ligands. In Silico Docking, Pharmacological Screening, and X- Ray Analysis.
J.Med.Chem., 52, 2009
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2J14
 | | 3,4,5-Trisubstituted Isoxazoles as Novel PPARdelta Agonists: Part2 | | Descriptor: | (3-{4-[2-(2,4-DICHLORO-PHENOXY)-ETHYLCARBAMOYL]-5-PHENYL-ISOXAZOL-3-YL}-PHENYL)-ACETIC ACID, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA | | Authors: | Epple, R, Azimioara, M, Russo, R, Xie, Y, Wang, X, Cow, C, Wityak, J, Karanewsky, D, Bursulaya, B, Kreusch, A, Tuntland, T, Gerken, A, Iskandar, M, Saez, E, Seidel, H.M, Tian, S.S. | | Deposit date: | 2006-08-08 | | Release date: | 2006-09-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 3,4,5-Trisubstituted Isoxazoles as Novel Ppardelta Agonists. Part 2
Bioorg.Med.Chem.Lett., 16, 2006
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2ICS
 | | Crystal structure of an adenine deaminase | | Descriptor: | ADENINE, Adenine Deaminase, ZINC ION | | Authors: | Sugadev, R, Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-09-13 | | Release date: | 2006-10-17 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of an adenine deaminase
TO BE PUBLISHED
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2VDV
 | | Structure of trm8, m7G methylation enzyme | | Descriptor: | S-ADENOSYLMETHIONINE, TRNA (GUANINE-N(7)-)-METHYLTRANSFERASE | | Authors: | Leulliot, N, Chaillet, M, Durand, D, Ulryck, N, Blondeau, K, Van Tilbeurgh, H. | | Deposit date: | 2007-10-11 | | Release date: | 2007-12-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Yeast tRNA M7G Methylation Complex.
Structure, 16, 2008
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2WB6
 | | Crystal structure of AFV1-102, a protein from the Acidianus Filamentous Virus 1 | | Descriptor: | AFV1-102, CHLORIDE ION | | Authors: | Keller, J, Leulliot, N, Collinet, B, Campanacci, V, Cambillau, C, Pranghisvilli, D, van Tilbeurgh, H. | | Deposit date: | 2009-02-22 | | Release date: | 2009-03-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal Structure of Afv1-102, a Protein from the Acidianus Filamentous Virus 1.
Protein Sci., 18, 2009
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