2OX3
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![BU of 2ox3 by Molmil](/molmil-images/mine/2ox3) | R-state, PEP and Fru-6-P-bound, Escherichia coli fructose-1,6-bisphosphatase | Descriptor: | 6-O-phosphono-beta-D-fructofuranose, Fructose-1,6-bisphosphatase, PHOSPHOENOLPYRUVATE | Authors: | Hines, J.K, Fromm, H.J, Honzatko, R.B. | Deposit date: | 2007-02-19 | Release date: | 2007-03-06 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structures of activated fructose-1,6-bisphosphatase from Escherichia coli. Coordinate regulation of bacterial metabolism and the conservation of the R-state. J.Biol.Chem., 282, 2007
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7UIQ
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2P59
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![BU of 2p59 by Molmil](/molmil-images/mine/2p59) | Crystal Structure of Hepatitis C Virus NS3.4A protease | Descriptor: | (2S,3AS,7AS)-1-[(2S)-2-{[(2S)-2-CYCLOHEXYL-2-({[(2R)-4-NITRO-2H-PYRROL-2-YL]CARBONYL}AMINO)ACETYL]AMINO}-3,3-DIMETHYLBUTANOYL]-N-{(1S)-1-[(1R)-2-(CYCLOPROPYLAMINO)-1-HYDROXY-2-OXOETHYL]BUTYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE, NS3, peptide | Authors: | Perni, R.B, Wei, Y. | Deposit date: | 2007-03-14 | Release date: | 2008-02-05 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Inhibitors of hepatitis C virus NS3.4A protease. Effect of P4 capping groups on inhibitory potency and pharmacokinetics. Bioorg.Med.Chem.Lett., 17, 2007
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2P5M
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![BU of 2p5m by Molmil](/molmil-images/mine/2p5m) | C-terminal domain hexamer of AhrC bound with L-arginine | Descriptor: | ARGININE, Arginine repressor | Authors: | Garnett, J.A, Baumberg, S, Stockley, P.G, Phillips, S.E.V. | Deposit date: | 2007-03-15 | Release date: | 2007-10-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the C-terminal effector-binding domain of AhrC bound to its corepressor L-arginine. Acta Crystallogr.,Sect.F, 63, 2007
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6Z19
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![BU of 6z19 by Molmil](/molmil-images/mine/6z19) | Crystal structure of P8C9 bound to CK2alpha | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha, ... | Authors: | Atkinson, E, Iegre, J, Brear, P, Baker, D, Sore, H, Hyvonen, M, Spring, D. | Deposit date: | 2020-05-13 | Release date: | 2021-05-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Development of small cyclic peptides targeting the CK2 alpha / beta interface. Chem.Commun.(Camb.), 58, 2022
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2P6R
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2P0H
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![BU of 2p0h by Molmil](/molmil-images/mine/2p0h) | ArhGAP9 PH domain in complex with Ins(1,3,4)P3 | Descriptor: | (1S,3S,4S)-1,3,4-TRIPHOSPHO-MYO-INOSITOL, Rho GTPase-activating protein 9 | Authors: | Ceccarelli, D.F.J, Blasutig, I, Goudreault, M, Ruston, J, Pawson, T, Sicheri, F. | Deposit date: | 2007-02-28 | Release date: | 2007-03-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Non-canonical Interaction of Phosphoinositides with Pleckstrin Homology Domains of Tiam1 and ArhGAP9. J.Biol.Chem., 282, 2007
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7UJR
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![BU of 7ujr by Molmil](/molmil-images/mine/7ujr) | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B | Descriptor: | 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ... | Authors: | Ozden, C, Santos, N.J, Stratton, M.M, Garman, S.C. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
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1T7W
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![BU of 1t7w by Molmil](/molmil-images/mine/1t7w) | Zn-alpha-2-glycoprotein; CHO-ZAG PEG 400 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Zinc-alpha-2-glycoprotein | Authors: | Delker, S.L, West Jr, A.P, McDermott, L, Kennedy, M.W, Bjorkman, P.J. | Deposit date: | 2004-05-11 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystallographic studies of ligand binding by Zn-alpha2-glycoprotein. J.Struct.Biol., 148, 2004
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7UJQ
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![BU of 7ujq by Molmil](/molmil-images/mine/7ujq) | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B | Descriptor: | Calcium/calmodulin-dependent protein kinase type II subunit alpha, GLYCEROL, Glutamate receptor ionotropic, ... | Authors: | Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
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7UJP
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![BU of 7ujp by Molmil](/molmil-images/mine/7ujp) | Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ... | Authors: | Ozden, C, Foster, J.C, Stratton, M.M, Garman, S.C. | Deposit date: | 2022-03-31 | Release date: | 2022-04-13 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | CaMKII binds both substrates and activators at the active site. Cell Rep, 40, 2022
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2P28
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![BU of 2p28 by Molmil](/molmil-images/mine/2p28) | Structure of the PHE2 and PHE3 fragments of the integrin beta2 subunit | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Integrin beta-2 | Authors: | Shi, M, Foo, S.Y, Tan, S.M, Mitchell, E.P, Law, S.K.A, Lescar, J. | Deposit date: | 2007-03-07 | Release date: | 2007-08-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A structural hypothesis for the transition between bent and extended conformations of the leukocyte beta2 integrins J.Biol.Chem., 282, 2007
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2O4J
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![BU of 2o4j by Molmil](/molmil-images/mine/2o4j) | Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20Z and the NR2 Box of DRIP 205 | Descriptor: | (1R,3R,7E,17Z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol, Peroxisome proliferator-activated receptor-binding protein, Vitamin D3 receptor | Authors: | Vanhooke, J.L, Benning, M.M, DeLuca, H.F. | Deposit date: | 2006-12-04 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | New analogs of 2-methylene-19-nor-(20S)-1,25-dihydroxyvitamin D(3) with conformationally restricted side chains: Evaluation of biological activity and structural determination of VDR-bound conformations. Arch.Biochem.Biophys., 460, 2007
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2O4R
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![BU of 2o4r by Molmil](/molmil-images/mine/2o4r) | Crystal Structure of Rat Vitamin D Receptor Ligand Binding Domain Complexed with VitIII 17-20E and the NR2 Box of DRIP 205 | Descriptor: | (1R,3R,7E,17E)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol, Peroxisome proliferator-activated receptor-binding protein, Vitamin D3 receptor | Authors: | Vanhooke, J.L, Benning, M.M, DeLuca, H.F. | Deposit date: | 2006-12-04 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | New analogs of 2-methylene-19-nor-(20S)-1,25-dihydroxyvitamin D(3) with conformationally restricted side chains: Evaluation of biological activity and structural determination of VDR-bound conformations. Arch.Biochem.Biophys., 460, 2007
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2O6E
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![BU of 2o6e by Molmil](/molmil-images/mine/2o6e) | Structure of native rTp34 from Treponema pallidum from zinc-soaked crystals | Descriptor: | 1,2-ETHANEDIOL, 34 kDa membrane antigen, CHLORIDE ION, ... | Authors: | Machius, M, Brautigam, C.A, Deka, R.K, Tomchick, D.R, Lumpkins, S.B, Norgard, M.V. | Deposit date: | 2006-12-07 | Release date: | 2006-12-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the Tp34 (TP0971) lipoprotein of treponema pallidum: implications of its metal-bound state and affinity for human lactoferrin. J.Biol.Chem., 282, 2007
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6QH8
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2NUH
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2NVU
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![BU of 2nvu by Molmil](/molmil-images/mine/2nvu) | Structure of APPBP1-UBA3~NEDD8-NEDD8-MgATP-Ubc12(C111A), a trapped ubiquitin-like protein activation complex | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Maltose binding protein/NEDD8-activating enzyme E1 catalytic subunit chimera, ... | Authors: | Huang, D.T, Hunt, H.W, Zhuang, M, Ohi, M.D, Holton, J.M, Schulman, B.A. | Deposit date: | 2006-11-13 | Release date: | 2007-01-30 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Basis for a ubiquitin-like protein thioester switch toggling E1-E2 affinity. Nature, 445, 2007
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6QFI
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![BU of 6qfi by Molmil](/molmil-images/mine/6qfi) | Structure of human Mcl-1 in complex with BIM BH3 peptide | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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2O1S
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![BU of 2o1s by Molmil](/molmil-images/mine/2o1s) | 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Escherichia coli | Descriptor: | 1-deoxy-D-xylulose-5-phosphate synthase, DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Xiang, S, Usunow, G, Lange, G, Busch, M, Tong, L. | Deposit date: | 2006-11-29 | Release date: | 2006-12-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of 1-Deoxy-D-xylulose 5-Phosphate Synthase, a Crucial Enzyme for Isoprenoids Biosynthesis. J.Biol.Chem., 282, 2007
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6YVM
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![BU of 6yvm by Molmil](/molmil-images/mine/6yvm) | Human OMPD-domain of UMPS in complex with the substrate OMP at 1.25 Angstroms resolution, 2.13 MGy exposure | Descriptor: | GLYCEROL, OROTIDINE-5'-MONOPHOSPHATE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-04-28 | Release date: | 2021-11-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6QKB
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![BU of 6qkb by Molmil](/molmil-images/mine/6qkb) | Crystal structure of the beta-hydroxyaspartate aldolase of Paracoccus denitrificans | Descriptor: | D-3-hydroxyaspartate aldolase, MAGNESIUM ION, PYRIDOXAL-5'-PHOSPHATE | Authors: | Zarzycki, J, Schada von Borzyskowski, L, Gilardet, A, Erb, T.J. | Deposit date: | 2019-01-28 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Marine Proteobacteria metabolize glycolate via the beta-hydroxyaspartate cycle. Nature, 575, 2019
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2OHK
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6QLA
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![BU of 6qla by Molmil](/molmil-images/mine/6qla) | CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE (point mutant 1) FROM PERMAFROST METAGENOMIC LIBRARY | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Boyko, K.M, Garsia, D, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | Deposit date: | 2019-01-31 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure of PMGL2 esterase from the hormone-sensitive lipase family with GCSAG motif around the catalytic serine. Plos One, 15, 2020
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2OHU
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![BU of 2ohu by Molmil](/molmil-images/mine/2ohu) | X-ray crystal structure of beta secretase complexed with compound 8b | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | Authors: | Patel, S. | Deposit date: | 2007-01-10 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Application of fragment screening by X-ray crystallography to the discovery of aminopyridines as inhibitors of beta-secretase. J.Med.Chem., 50, 2007
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