3CFU
 
 | | Crystal structure of the yjhA protein from Bacillus subtilis. Northeast Structural Genomics Consortium target SR562 | | Descriptor: | Uncharacterized lipoprotein yjhA | | Authors: | Vorobiev, S.M, Chen, Y, Kuzin, A.P, Seetharaman, J, Forouhar, F, Zhao, L, Mao, L, Maglaqui, M, Xiao, R, Liu, J, Swapna, G, Huang, J.Y, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-03-04 | | Release date: | 2008-03-18 | | Last modified: | 2017-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the yjhA protein from Bacillus subtilis.
To be Published
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3D0W
 | | Crystal structure of YflH protein from Bacillus subtilis. Northeast Structural Genomics Consortium target SR326 | | Descriptor: | YflH protein | | Authors: | Seetharaman, J, Kuzin, A.P, Neely, H, Forouhar, F, Min, S, Zhao, L, Fang, Y, Owens, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2008-05-02 | | Release date: | 2008-05-20 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of YflH protein from Bacillus subtilis.
To be Published
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5I2Z
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24). | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | Deposit date: | 2016-02-09 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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6K9P
 | | Structure of Deubiquitinase | | Descriptor: | Ubiquitin, Ubiquitin thioesterase | | Authors: | Lu, L.N, Liu, L, Wang, F. | | Deposit date: | 2019-06-17 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.047 Å) | | Cite: | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
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6KBE
 | | Structure of Deubiquitinase | | Descriptor: | Polyubiquitin-C, Ubiquitin thioesterase | | Authors: | Lu, L.N, Liu, L, Wang, F. | | Deposit date: | 2019-06-24 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.339 Å) | | Cite: | Met1-specific motifs conserved in OTUB subfamily of green plants enable rice OTUB1 to hydrolyse Met1 ubiquitin chains
Nat Commun, 13, 2022
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4P7E
 | | Triazolopyridine compounds as selective JAK1 inhibitors: from hit identification to GLPG0634 | | Descriptor: | N-(5-{4-[(1,1-dioxidothiomorpholin-4-yl)methyl]phenyl}[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide, Tyrosine-protein kinase JAK2 | | Authors: | Menet, C.C.J, Fletcher, S, Van Lommen, G, Geney, R, Blanc, J, Smits, K, Jouannigot, N, van der Aar, E.M, Clement-Lacroix, P, Lepescheux, L, Galien, R, Vayssiere, B, Nelles, L, Christophe, T, Brys, R, Uhring, M, Ciesielski, F, Van Rompaey, L. | | Deposit date: | 2014-03-27 | | Release date: | 2014-11-19 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Triazolopyridines as Selective JAK1 Inhibitors: From Hit Identification to GLPG0634.
J.Med.Chem., 57, 2014
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1ELS
 | | CATALYTIC METAL ION BINDING IN ENOLASE: THE CRYSTAL STRUCTURE OF ENOLASE-MN2+-PHOSPHONOACETOHYDROXAMATE COMPLEX AT 2.4 ANGSTROMS RESOLUTION | | Descriptor: | ENOLASE, MANGANESE (II) ION, PHOSPHONOACETOHYDROXAMIC ACID | | Authors: | Zhang, E, Hatada, M, Brewer, J.M, Lebioda, L. | | Deposit date: | 1994-04-05 | | Release date: | 1994-07-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Catalytic metal ion binding in enolase: the crystal structure of an enolase-Mn2+-phosphonoacetohydroxamate complex at 2.4-A resolution.
Biochemistry, 33, 1994
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6OEB
 | | Crystal structure of HMCES SRAP domain in complex with 3' overhang DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | | Authors: | Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-27 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
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7P7N
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6OEA
 | | Crystal structure of HMCES SRAP domain in complex with longer 3' overhang DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*TP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | | Authors: | Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-27 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
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6OGD
 | | Cryo-EM structure of YenTcA in its prepore state | | Descriptor: | Chitinase 2, Toxin subunit YenA1, Toxin subunit YenA2 | | Authors: | Piper, S.J, Brillault, L, Box, J.K, Landsberg, M.J. | | Deposit date: | 2019-04-02 | | Release date: | 2019-05-08 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Cryo-EM structures of the pore-forming A subunit from the Yersinia entomophaga ABC toxin.
Nat Commun, 10, 2019
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6P5S
 | | HIPK2 kinase domain bound to CX-4945 | | Descriptor: | 5-[(3-chlorophenyl)amino]benzo[c][2,6]naphthyridine-8-carboxylic acid, Homeodomain-interacting protein kinase 2 | | Authors: | Agnew, C, Liu, L, Jura, N. | | Deposit date: | 2019-05-30 | | Release date: | 2019-07-31 | | Last modified: | 2019-09-25 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | The crystal structure of the protein kinase HIPK2 reveals a unique architecture of its CMGC-insert region.
J.Biol.Chem., 294, 2019
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7PHG
 | | MaP OF P5C3RBD Interface | | Descriptor: | Heavy ChaIn variable, Light ChaIn, Surface glycoprotein | | Authors: | Perez, L. | | Deposit date: | 2021-08-17 | | Release date: | 2021-10-13 | | Last modified: | 2021-10-27 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | A highly potent antibody effective against SARS-CoV-2 variants of concern.
Cell Rep, 37, 2021
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5GT1
 | | crystal structure of cbpa from L. salivarius REN | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Choline binding protein A, ... | | Authors: | Jiang, L, Ren, F. | | Deposit date: | 2016-08-18 | | Release date: | 2017-07-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Adhesion of Lactobacillus salivarius REN to a Human Intestinal Epithelial Cell Line Requires S-layer Proteins
Sci Rep, 7, 2017
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5C9C
 | | CRYSTAL STRUCTURE OF BRAF(V600E) IN COMPLEX WITH LY3009120 COMPND | | Descriptor: | 1-(3,3-dimethylbutyl)-3-{2-fluoro-4-methyl-5-[7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl]phenyl}urea, CHLORIDE ION, Serine/threonine-protein kinase B-raf | | Authors: | Edwards, T, Abendroth, J, Chun, L. | | Deposit date: | 2015-06-26 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Inhibition of RAF Isoforms and Active Dimers by LY3009120 Leads to Anti-tumor Activities in RAS or BRAF Mutant Cancers.
Cancer Cell, 28, 2015
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6VAH
 | | Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative | | Descriptor: | 2-fluoro-6-[(3-hexylphenyl)amino]benzoic acid, Transcriptional enhancer factor TEF-4, UNKNOWN ATOM OR ION | | Authors: | Halabelian, L, Zeng, H, Dong, A, Li, Y, Melin, L, Gagnon, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Santhakumar, V, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-12-17 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal structure of human TEAD2 transcription factor in complex with Flufenamic acid derivative
to be published
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5I43
 | | Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32). | | Descriptor: | (2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name), 1,2-ETHANEDIOL, CALCIUM ION, ... | | Authors: | Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A. | | Deposit date: | 2016-02-11 | | Release date: | 2016-07-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016
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5II6
 | | Crystal structure of the ZP-N1 domain of mouse sperm receptor ZP2 at 0.95 A resolution | | Descriptor: | Zona pellucida sperm-binding protein 2 | | Authors: | Dioguardi, E, Han, L, Nishimura, K, De Sanctis, D, Jovine, L. | | Deposit date: | 2016-03-01 | | Release date: | 2017-06-14 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
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2WPO
 | | HCMV protease inhibitor complex | | Descriptor: | (2S)-2-(3,3-dimethylbutanoylamino)-N-[(2S)-1-[[(2S,3S)-3-hydroxy-4-[(4-iodophenyl)methylamino]-4-oxo-butan-2-yl]amino]- 1,4-dioxo-4-pyrrol-1-yl-butan-2-yl]-3,3-dimethyl-butanamide, HUMAN CYTOMEGALOVIRUS PROTEASE | | Authors: | Tong, L, Qian, C, Massariol, M.-J, Deziel, R, Yoakim, C, Lagace, L. | | Deposit date: | 1998-08-04 | | Release date: | 1999-08-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Conserved mode of peptidomimetic inhibition and substrate recognition of human cytomegalovirus protease.
Nat.Struct.Biol., 5, 1998
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7PVU
 | | Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 | | Descriptor: | Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide | | Authors: | Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R. | | Deposit date: | 2021-10-05 | | Release date: | 2023-05-17 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.154 Å) | | Cite: | Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
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6Q3R
 | | ASPERGILLUS ACULEATUS GALACTANASE | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ACETATE ION, ... | | Authors: | Muderspach, S.J, Torpenholt, S, Lo Leggio, L, Poulsen, J.C.N. | | Deposit date: | 2018-12-04 | | Release date: | 2019-06-12 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structure of Aspergillus aculeatus beta-1,4-galactanase in complex with galactobiose.
Acta Crystallogr.,Sect.F, 75, 2019
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2VM6
 | | Human Bcl2-A1 in complex with Bim-BH3 peptide | | Descriptor: | BCL-2-LIKE PROTEIN 11, BCL-2-RELATED PROTEIN A1, SULFATE ION | | Authors: | Herman, M.D, Lehtio, L, Arrowsmith, C.H, Berglund, H, Busam, R.D, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-01-23 | | Release date: | 2008-02-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Completing the Family Portrait of the Anti- Apoptotic Bcl-2 Proteins: Crystal Structure of Human Bfl-1 in Complex with Bim.
FEBS Lett., 582, 2008
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6VP0
 | | Human Diacylglycerol Acyltransferase 1 in complex with oleoyl-CoA | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Diacylglycerol O-acyltransferase 1, Lauryl Maltose Neopentyl Glycol, ... | | Authors: | Wang, L, Qian, H, Han, Y, Nian, Y, Ren, Z, Zhang, H, Hu, L, Prasad, B.V.V, Yan, N, Zhou, M. | | Deposit date: | 2020-02-01 | | Release date: | 2020-05-13 | | Last modified: | 2023-12-13 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structure and mechanism of human diacylglycerol O-acyltransferase 1.
Nature, 581, 2020
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4RRP
 | | Crystal Structure of the Fab complexed with antigen Asf1p, Northeast Structural Genomics Consortium (NESG) Target PdR16 | | Descriptor: | Antigen Asf1p, DI(HYDROXYETHYL)ETHER, Fab antibody, ... | | Authors: | Kuzin, A, Lew, S, Seetharaman, J, Mao, L, Xiao, R, Oconnell, P.T, Maglaqui, M, Bailey, L, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Chaperone-Enabled Studies of Epigenetic Regulation Enzymes (CEBS), Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2014-11-06 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Crystal Structure of the Fab complexed with antigen Asf1p, Northeast Structural Genomics Consortium (NESG) Target PdR16
To be Published
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1SQP
 | | Crystal Structure Analysis of Bovine Bc1 with Myxothiazol | | Descriptor: | (2Z,6E)-7-{2'-[(2E,4E)-1,6-DIMETHYLHEPTA-2,4-DIENYL]-2,4'-BI-1,3-THIAZOL-4-YL}-3,5-DIMETHOXY-4-METHYLHEPTA-2,6-DIENAMID E, (9R,11S)-9-({[(1S)-1-HYDROXYHEXADECYL]OXY}METHYL)-2,2-DIMETHYL-5,7,10-TRIOXA-2LAMBDA~5~-AZA-6LAMBDA~5~-PHOSPHAOCTACOSANE-6,6,11-TRIOL, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ... | | Authors: | Esser, L, Quinn, B, Li, Y.F, Zhang, M, Elberry, M, Yu, L, Yu, C.A, Xia, D. | | Deposit date: | 2004-03-19 | | Release date: | 2005-11-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystallographic studies of quinol oxidation site inhibitors: a modified classification of inhibitors for the cytochrome bc(1) complex.
J.Mol.Biol., 341, 2004
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