2B6E
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![BU of 2b6e by Molmil](/molmil-images/mine/2b6e) | X-Ray Crystal Structure of Protein HI1161 from Haemophilus influenzae. Northeast Structural Genomics Consortium Target IR63. | Descriptor: | ACETIC ACID, Hypothetical UPF0152 protein HI1161 | Authors: | Kuzin, A.P, Benach, J, Chen, Y, Acton, T, Xiao, R, Conover, K, Ma, L.-C, Kellie, R, Cunningham, K.E, Montelione, G, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-10-01 | Release date: | 2005-10-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-Ray structure of the different crystal form of the hypothetical UPF0152 protein HI1161: NESG target IR63 TO BE PUBLISHED
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5JTV
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![BU of 5jtv by Molmil](/molmil-images/mine/5jtv) | USP7CD-UBL45 in complex with Ubiquitin | Descriptor: | Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 7 | Authors: | Murray, J.M, Rouge, L. | Deposit date: | 2016-05-09 | Release date: | 2016-10-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.312 Å) | Cite: | Molecular Understanding of USP7 Substrate Recognition and C-Terminal Activation. Structure, 24, 2016
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2B7D
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![BU of 2b7d by Molmil](/molmil-images/mine/2b7d) | Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model | Descriptor: | (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID, Coagulation factor VII, Tissue factor | Authors: | Young, W.B, Mordenti, J, Torkelson, S, Shrader, W.D, Kolesnikov, A, Rai, R, Liu, L, Hu, H, Leahy, E.M, Green, M.J, Sprengeler, P.A, Katz, B.A, Yu, C, Janc, J.W, Elrod, K.C, Marzec, U.M, Hanson, S.R. | Deposit date: | 2005-10-04 | Release date: | 2006-02-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Factor VIIa inhibitors: Chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model. Bioorg.Med.Chem.Lett., 16, 2006
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8PE4
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2AM9
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![BU of 2am9 by Molmil](/molmil-images/mine/2am9) | Crystal structure of human androgen receptor ligand binding domain in complex with testosterone | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Androgen receptor, GLYCEROL, ... | Authors: | Pereira de Jesus-Tran, K, Cote, P.-L, Cantin, L, Blanchet, J, Labrie, F, Breton, R. | Deposit date: | 2005-08-09 | Release date: | 2006-05-16 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Comparison of crystal structures of human androgen receptor ligand-binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity. Protein Sci., 15, 2006
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4YVB
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![BU of 4yvb by Molmil](/molmil-images/mine/4yvb) | Structure of D128N streptavidin | Descriptor: | BIOTIN, Streptavidin | Authors: | Baugh, L, Le Trong, I, Stayton, P.S, Stenkamp, R.E, Lybrand, T.P. | Deposit date: | 2015-03-19 | Release date: | 2016-03-23 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.351 Å) | Cite: | A Streptavidin Binding Site Mutation Yields an Unexpected Result To Be Published
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4YVQ
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4RLI
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![BU of 4rli by Molmil](/molmil-images/mine/4rli) | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048 | Descriptor: | Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ... | Authors: | Zhu, L, Ren, X, Zhu, J, Li, H. | Deposit date: | 2014-10-17 | Release date: | 2015-11-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A048 TO BE PUBLISHED
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4RLN
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![BU of 4rln by Molmil](/molmil-images/mine/4rln) | Hen egg-white lysozyme solved from serial crystallography at a synchrotron source, data processed with nXDS | Descriptor: | Lysozyme C | Authors: | Botha, S, Nass, K, Barends, T, Kabsch, W, Latz, B, Dworkowski, F, Foucar, L, Panepucci, E, Wang, M, Shoeman, R, Schlichting, I, Doak, R.B. | Deposit date: | 2014-10-17 | Release date: | 2015-02-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Room-temperature serial crystallography at synchrotron X-ray sources using slowly flowing free-standing high-viscosity microstreams. Acta Crystallogr.,Sect.D, 71, 2015
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5L6X
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2AOE
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![BU of 2aoe by Molmil](/molmil-images/mine/2aoe) | crystal structure analysis of HIV-1 protease mutant V82A with a substrate analog CA-P2 | Descriptor: | ACETIC ACID, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Tie, Y, Boross, P.I, Wang, Y.F, Gaddis, L, Liu, F, Chen, X, Tozser, J, Harrison, R.W, Weber, I.T. | Deposit date: | 2005-08-12 | Release date: | 2006-01-17 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Molecular basis for substrate recognition and drug resistance from 1.1 to 1.6 angstroms resolution crystal structures of HIV-1 protease mutants with substrate analogs. Febs J., 272, 2005
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5L77
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![BU of 5l77 by Molmil](/molmil-images/mine/5l77) | A glycoside hydrolase mutant with an unreacted activity based probe bound | Descriptor: | (1~{R},2~{S},3~{R},4~{S},5~{S},6~{R})-7-[8-[(azanylidene-{4}-azanylidene)amino]octyl]-3,4,5-tris(oxidanyl)-7-azabicyclo[4.1.0]heptane-2-carboxylic acid, CHLORIDE ION, GLYCEROL, ... | Authors: | Jin, Y, Wu, L, Jiang, J.B, Overkleeft, H.S, Davies, G.J. | Deposit date: | 2016-06-02 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
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2AGW
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![BU of 2agw by Molmil](/molmil-images/mine/2agw) | Crystal structure of tryptamine-reduced aromatic amine dehydrogenase (AADH) from Alcaligenes faecalis in complex with tryptamine | Descriptor: | 2-(1H-INDOL-3-YL)ETHANAMINE, Aromatic amine dehydrogenase | Authors: | Masgrau, L, Roujeinikova, A, Johannissen, L.O, Hothi, P, Basran, J, Ranaghan, K.E, Mulholland, A.J, Sutcliffe, M.J, Scrutton, N.S, Leys, D. | Deposit date: | 2005-07-27 | Release date: | 2006-04-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Atomic description of an enzyme reaction dominated by proton tunneling Science, 312, 2006
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2AQF
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![BU of 2aqf by Molmil](/molmil-images/mine/2aqf) | Structural and functional analysis of ADA2 alpha swirm domain | Descriptor: | transcriptional adaptor 2, Ada2 alpha | Authors: | Qian, C, Zhang, Q, Zhou, M.-M, Zeng, L. | Deposit date: | 2005-08-17 | Release date: | 2006-01-31 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and chromosomal DNA binding of the SWIRM domain. Nat.Struct.Mol.Biol., 12, 2005
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5L9O
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2AJA
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![BU of 2aja by Molmil](/molmil-images/mine/2aja) | X-Ray structure of an ankyrin repeat family protein Q5ZSV0 from Legionella pneumophila. Northeast Structural Genomics Consortium target LgR21. | Descriptor: | ankyrin repeat family protein | Authors: | Kuzin, A.P, Chen, Y, Acton, T, Xiao, R, Conover, K, Ma, C, Kellie, R, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2005-08-01 | Release date: | 2005-08-16 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | X-Ray structure of an ankyrin repeat family protein Q5ZSV0 from Legionella pneumophila. To be Published
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5L9Y
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![BU of 5l9y by Molmil](/molmil-images/mine/5l9y) | Crystal structure of human heparanase, in complex with glucuronic acid configured aziridine probe JJB355 | Descriptor: | (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wu, L, Jin, Y, Davies, G.J. | Deposit date: | 2016-06-13 | Release date: | 2017-05-31 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Activity-based probes for functional interrogation of retaining beta-glucuronidases. Nat. Chem. Biol., 13, 2017
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7UZ2
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![BU of 7uz2 by Molmil](/molmil-images/mine/7uz2) | Structure of beta-glycosidase from Sulfolobus solfataricus in complex with C5a-fluoro-valienide. | Descriptor: | (1R,2S,3R,4R)-5-fluoro-6-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol, Beta-galactosidase | Authors: | Danby, P.M, Jeong, A, Sim, L, Sweeney, R.P, Wardman, J.F, Geissner, A, Worrall, L.J, Strynadka, N.C.J, Withers, S.G. | Deposit date: | 2022-05-08 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Vinyl Halide-Modified Unsaturated Cyclitols are Mechanism-Based Glycosidase Inhibitors. Angew.Chem.Int.Ed.Engl., 62, 2023
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5L9L
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2AK7
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![BU of 2ak7 by Molmil](/molmil-images/mine/2ak7) | structure of a dimeric P-Ser-Crh | Descriptor: | HPr-like protein crh, SULFATE ION | Authors: | Chaptal, V, Gueguen-Chaignon, V, Poncet, S, Lecampion, C, Lariviere, L, Meyer, P, Galinier, A, Deutscher, J, Nessler, S, Morera, S. | Deposit date: | 2005-08-03 | Release date: | 2006-06-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structure of a domain-swapped dimer of Ser46-phosphorylated Crh from Bacillus subtilis. Proteins, 63, 2006
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2AX4
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![BU of 2ax4 by Molmil](/molmil-images/mine/2ax4) | Crystal structure of the kinase domain of human 3'-phosphoadenosine 5'-phosphosulphate synthetase 2 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthetase 2 | Authors: | Rabeh, W.M, Nedyalkova, L, Ismail, S, Park, H, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Bochkarev, A, Structural Genomics Consortium (SGC) | Deposit date: | 2005-09-02 | Release date: | 2005-09-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the kinase domain of PAPSS 2 To be Published
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4TVC
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![BU of 4tvc by Molmil](/molmil-images/mine/4tvc) | N-terminally truncated dextransucrase DSR-E from Leuconostoc mesenteroides NRRL B-1299 in complex with gluco-oligosaccharides | Descriptor: | CALCIUM ION, Dextransucrase, GLYCEROL, ... | Authors: | Brison, Y, Remaud-Simeon, M, Mourey, L, Tranier, S. | Deposit date: | 2014-06-26 | Release date: | 2015-07-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Insights into the Carbohydrate Binding Ability of an alpha-(12) Branching Sucrase from Glycoside Hydrolase Family 70. J.Biol.Chem., 291, 2016
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2B24
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![BU of 2b24 by Molmil](/molmil-images/mine/2b24) | Crystal structure of naphthalene 1,2-dioxygenase from Rhodococcus sp. bound to indole | Descriptor: | FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, INDOLE, ... | Authors: | Gakhar, L, Malik, Z.A, Allen, C.C, Lipscomb, D.A, Larkin, M.J, Ramaswamy, S. | Deposit date: | 2005-09-16 | Release date: | 2005-10-04 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and Increased Thermostability of Rhodococcus sp. Naphthalene 1,2-Dioxygenase. J.Bacteriol., 187, 2005
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5LB7
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![BU of 5lb7 by Molmil](/molmil-images/mine/5lb7) | Complex structure between p60N/p80C katanin and a peptide derived from ASPM | Descriptor: | Abnormal spindle-like microcephaly-associated protein homolog, Katanin p60 ATPase-containing subunit A1, Katanin p80 WD40 repeat-containing subunit B1 | Authors: | Rezabkova, L, Capitani, G, Kammerer, R.A, Steinmetz, M.O. | Deposit date: | 2016-06-15 | Release date: | 2017-04-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Microtubule minus-end regulation at spindle poles by an ASPM-katanin complex. Nat. Cell Biol., 19, 2017
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2AMA
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![BU of 2ama by Molmil](/molmil-images/mine/2ama) | Crystal structure of human androgen receptor ligand binding domain in complex with dihydrotestosterone | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, SULFATE ION | Authors: | Pereira de Jesus-Tran, K, Cote, P.-L, Cantin, L, Blanchet, J, Labrie, F, Breton, R. | Deposit date: | 2005-08-09 | Release date: | 2006-05-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Comparison of crystal structures of human androgen receptor ligand-binding domain complexed with various agonists reveals molecular determinants responsible for binding affinity. Protein Sci., 15, 2006
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