4MVF
 
 | | Crystal Structure of Plasmodium falciparum CDPK2 complexed with inhibitor staurosporine | | Descriptor: | CALCIUM ION, Calcium-dependent protein kinase 2, GLYCEROL, ... | | Authors: | Lauciello, L, Pernot, L, Scapozza, L, Perozzo, R. | | Deposit date: | 2013-09-24 | | Release date: | 2014-09-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | P. falciparum Calcium-Dependent Protein Kinase 2 (PfCDPK2): First Crystal Structure and Virtual Ligand Screening
To be Published
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1FES
 | | SOLUTION STRUCTURE OF THE APO FORM OF THE YEAST METALLOCHAPERONE, ATX1 | | Descriptor: | ATX1 COPPER CHAPERONE | | Authors: | Arnesano, F, Banci, L, Bertini, I, Huffman, D.L, O'Halloran, T.V. | | Deposit date: | 2000-07-22 | | Release date: | 2001-03-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the Cu(I) and apo forms of the yeast metallochaperone, Atx1.
Biochemistry, 40, 2001
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5MSZ
 | | Lytic Polysaccharide Monooxygenase AA15 from Thermobia domestica in the Cu(I) State | | Descriptor: | 1,2-ETHANEDIOL, COPPER (I) ION, Thermobia domestica domestica AA15 | | Authors: | Hemsworth, G.R, Sabbadin, F, Ciano, L, Henrissat, B, Dupree, P, Tryfona, T, Besser, K, Elias, L, Pesante, G, Li, Y, Dowle, A, Bates, R, Gomez, L, Hallam, R, Davies, G.J, Walton, P.H, Bruce, N.C, McQueen-Mason, S. | | Deposit date: | 2017-01-06 | | Release date: | 2018-02-28 | | Last modified: | 2018-03-07 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | An ancient family of lytic polysaccharide monooxygenases with roles in arthropod development and biomass digestion.
Nat Commun, 9, 2018
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8FJE
 | | The five-repeat design E8 | | Descriptor: | E8 | | Authors: | Bera, A.K, An, L, Baker, D. | | Deposit date: | 2022-12-19 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Hallucination of closed repeat proteins containing central pockets.
Nat.Struct.Mol.Biol., 30, 2023
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8FJF
 | | The three-repeat design H10 | | Descriptor: | H10 | | Authors: | Bera, A.K, An, L, Baker, D. | | Deposit date: | 2022-12-19 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Hallucination of closed repeat proteins containing central pockets.
Nat.Struct.Mol.Biol., 30, 2023
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8FJG
 | | The two-repeat design H12 | | Descriptor: | H12 | | Authors: | Bera, A.K, An, L, Baker, D. | | Deposit date: | 2022-12-19 | | Release date: | 2023-09-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Hallucination of closed repeat proteins containing central pockets.
Nat.Struct.Mol.Biol., 30, 2023
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2Y76
 | | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-5-ylmethoxy)-2-(benzo(b) thiophen-5-ylmethyl)-1,4,5-trihydroxycyclohex-2-enecarboxylate | | Descriptor: | (1R,4S,5R)-3-(BENZO[b]THIOPHEN-5-YL)METHOXY-2-(BENZO[b]THIOPHEN-5-YL)METHYL-1,4,5-TRIHYDROXYCYCLOHEX-2-ENE-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2011-01-28 | | Release date: | 2011-08-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
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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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2Y77
 | | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-3-(benzo(b)thiophen-2-ylmethoxy)-1,4,5- trihydroxy-2-(thiophen-2-ylmethyl)cyclohex-2-enecarboxylate | | Descriptor: | (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE, 3-DEHYDROQUINATE DEHYDRATASE, SULFATE ION | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2011-01-28 | | Release date: | 2011-08-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
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4DGP
 | | The wild-type Src homology 2 (SH2)-domain containing protein tyrosine phosphatase-2 (SHP2) | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y. | | Deposit date: | 2012-01-26 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
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6M4J
 | | SspA in complex with cysteine | | Descriptor: | CYSTEINE, PYRIDOXAL-5'-PHOSPHATE, SspA complex protein | | Authors: | Liu, L, Gao, H. | | Deposit date: | 2020-03-07 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Analysis of an l-Cysteine Desulfurase from an Ssp DNA Phosphorothioation System.
Mbio, 11, 2020
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2Y71
 | | Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with (1R,4S,5R)-1,4,5-trihydroxy-3-((5-methylbenzo(b) thiophen-2-yl)methoxy)cyclohex-2-enecarboxylate | | Descriptor: | (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, SODIUM ION, ... | | Authors: | Otero, J.M, Llamas-Saiz, A.L, Fox, G.C, Tizon, L, Prazeres, V.F.V, Lamb, H, Hawkins, A.R, Ainsa, J.A, Castedo, L, Gonzalez-Bello, C, van Raaij, M.J. | | Deposit date: | 2011-01-28 | | Release date: | 2011-08-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | A prodrug approach for improving antituberculosis activity of potent Mycobacterium tuberculosis type II dehydroquinase inhibitors.
J. Med. Chem., 54, 2011
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1GK5
 | | Solution Structure the mEGF/TGFalpha44-50 chimeric growth factor | | Descriptor: | Pro-epidermal growth factor,Protransforming growth factor alpha | | Authors: | Chamberlin, S.G, Brennan, L, Puddicombe, S.M, Davies, D.E, Turner, D.L. | | Deposit date: | 2001-08-08 | | Release date: | 2002-08-08 | | Last modified: | 2018-03-28 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of the Megf/Tgfalpha44-50 Chimeric Growth Factor.
Eur.J.Biochem., 268, 2001
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6M2B
 | | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with S416 | | Descriptor: | 2-[(E)-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-methyl-hydrazinylidene]methyl]benzoic acid, Dihydroorotate dehydrogenase (quinone), mitochondrial, ... | | Authors: | Zhu, L, Li, H. | | Deposit date: | 2020-02-27 | | Release date: | 2021-03-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Novel and potent inhibitors targeting DHODH are broad-spectrum antivirals against RNA viruses including newly-emerged coronavirus SARS-CoV-2.
Protein Cell, 11, 2020
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4ESA
 | | X-ray structure of carbonmonoxy hemoglobin of Eleginops maclovinus | | Descriptor: | CARBON MONOXIDE, GLYCEROL, Hemoglobin alpha chain, ... | | Authors: | Merlino, A, Vitagliano, L, Mazzarella, L, Vergara, A. | | Deposit date: | 2012-04-23 | | Release date: | 2012-11-07 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | ATP regulation of the ligand-binding properties in temperate and cold-adapted haemoglobins. X-ray structure and ligand-binding kinetics in the sub-Antarctic fish Eleginops maclovinus.
Mol Biosyst, 8, 2012
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8GPX
 | | YFV_E_YD73Fab_postfusion | | Descriptor: | Envelope protein, YD73Fab_H, YD73Fab_K | | Authors: | Li, Y, Wu, L, Chai, Y, Qi, J, Yan, J, Gao, G.F. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | A neutralizing-protective supersite of human monoclonal antibodies for yellow fever virus.
Innovation (N Y), 3, 2022
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8GPU
 | | YFV_E_YD6Fab_prefusion | | Descriptor: | Envelope protein, YD6Fab_H, YD6Fab_L | | Authors: | Li, Y, Wu, L, Qi, J, Yan, J, Gao, G.F. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | A neutralizing-protective supersite of human monoclonal antibodies for yellow fever virus.
Innovation (N Y), 3, 2022
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8GPT
 | | YFV_E_YD6scFv_postfusion | | Descriptor: | Envelope protein, YD6_VH, YD6_VL | | Authors: | Li, Y, Wu, L, Qi, J, Yan, J, Gao, G.F. | | Deposit date: | 2022-08-27 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | A neutralizing-protective supersite of human monoclonal antibodies for yellow fever virus.
Innovation (N Y), 3, 2022
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1PDC
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7OG7
 | | Crystal structure of the copper chaperone NosL from Shewanella denitrificans | | Descriptor: | ACETONITRILE, COPPER (I) ION, NosL, ... | | Authors: | Prasser, B, Schoener, L, Zhang, L, Einsle, O. | | Deposit date: | 2021-05-06 | | Release date: | 2021-07-07 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Copper Chaperone NosL Forms a Heterometal Site for Cu Delivery to Nitrous Oxide Reductase.
Angew.Chem.Int.Ed.Engl., 60, 2021
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3BID
 | | Crystal structure of the NMB1088 protein from Neisseria meningitidis. Northeast Structural Genomics Consortium target MR91 | | Descriptor: | UPF0339 protein NMB1088 | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Mao, L, Fang, Y, Xiao, R, Owen, L.A, Maglaqui, M, Cunningham, K, Baran, M.C, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-11-30 | | Release date: | 2007-12-18 | | Last modified: | 2020-01-22 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of the NMB1088 protein from Neisseria meningitidis.
To be Published
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3BB6
 | | Crystal structure of the P64488 protein from E.coli (strain K12). Northeast Structural Genomics Consortium target ER596 | | Descriptor: | Uncharacterized protein yeaR, ZINC ION | | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Wang, D, Janjua, H, Owens, L, Ma, L.-C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2007-11-09 | | Release date: | 2007-11-20 | | Last modified: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | X-Ray structure of the P64488 from E.coli (strain K12).
To be Published
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1GAD
 | | COMPARISON OF THE STRUCTURES OF WILD TYPE AND A N313T MUTANT OF ESCHERICHIA COLI GLYCERALDEHYDE 3-PHOSPHATE DEHYDROGENASES: IMPLICATION FOR NAD BINDING AND COOPERATIVITY | | Descriptor: | D-GLYCERALDEHYDE-3-PHOSPHATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Duee, E, Olivier-Deyris, L, Fanchon, E, Corbier, C, Branlant, G, Dideberg, O. | | Deposit date: | 1995-10-24 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Comparison of the structures of wild-type and a N313T mutant of Escherichia coli glyceraldehyde 3-phosphate dehydrogenases: implication for NAD binding and cooperativity.
J.Mol.Biol., 257, 1996
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1YMU
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1YMV
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