3UDH
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![BU of 3udh by Molmil](/molmil-images/mine/3udh) | Crystal Structure of BACE with Compound 1 | Descriptor: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UDM
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![BU of 3udm by Molmil](/molmil-images/mine/3udm) | Crystal Structure of BACE with Compound 8 | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3G00
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![BU of 3g00 by Molmil](/molmil-images/mine/3g00) | Mth0212 in complex with a 9bp blunt end dsDNA at 1.7 Angstrom | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5'-D(*CP*GP*TP*AP*TP*TP*AP*CP*G)-3', 5'-D(*CP*GP*TP*AP*UP*TP*AP*CP*G)-3', ... | Authors: | Lakomek, K, Dickmanns, A, Ficner, R. | Deposit date: | 2009-01-27 | Release date: | 2010-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Crystal Structure Analysis of DNA Uridine Endonuclease Mth212 Bound to DNA J.Mol.Biol., 399, 2010
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3UDQ
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![BU of 3udq by Molmil](/molmil-images/mine/3udq) | Crystal Structure of BACE with Compound 13 | Descriptor: | (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1 | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | Deposit date: | 2011-10-28 | Release date: | 2012-04-18 | Last modified: | 2018-04-04 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design. J.Med.Chem., 55, 2012
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3UE2
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![BU of 3ue2 by Molmil](/molmil-images/mine/3ue2) | |
3PHB
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![BU of 3phb by Molmil](/molmil-images/mine/3phb) | Crystal Structure of human purine nucleoside phosphorylase in complex with DADMe-ImmG | Descriptor: | 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine nucleoside phosphorylase | Authors: | Ho, M, Cassera, M.B, Murkin, A.S, Almo, S.C, Schramm, V.L. | Deposit date: | 2010-11-03 | Release date: | 2011-11-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of human purine nucleoside phosphorylase in complex with DADMe-ImmG to be published
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3G0S
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![BU of 3g0s by Molmil](/molmil-images/mine/3g0s) | Dihydrodipicolinate synthase from Salmonella typhimurium LT2 | Descriptor: | CHLORIDE ION, Dihydrodipicolinate synthase, GLYCEROL, ... | Authors: | Osipiuk, J, Maltseva, N, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2009-01-28 | Release date: | 2009-02-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray crystal structure of dihydrodipicolinate synthase from Salmonella typhimurium LT2. To be Published
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2O8C
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![BU of 2o8c by Molmil](/molmil-images/mine/2o8c) | human MutSalpha (MSH2/MSH6) bound to ADP and an O6-methyl-guanine T mispair | Descriptor: | 5'-D(*CP*CP*TP*AP*GP*CP*GP*TP*GP*CP*GP*GP*TP*TP*C)-3', 5'-D(*GP*AP*AP*CP*CP*GP*CP*(6OG)P*CP*GP*CP*TP*AP*GP*G)-3', ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Warren, J.J, Pohlhaus, T.J, Changela, A, Modrich, P.L, Beese, L.S. | Deposit date: | 2006-12-12 | Release date: | 2007-06-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.37 Å) | Cite: | Structure of the Human MutSalpha DNA Lesion Recognition Complex. Mol.Cell, 26, 2007
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3PJQ
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![BU of 3pjq by Molmil](/molmil-images/mine/3pjq) | Trypanosoma cruzi trans-sialidase-like inactive isoform (including the natural mutation Tyr342His) in complex with lactose | Descriptor: | Trans-sialidase, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Oppezzo, P, Baraibar, M, Obal, G, Pritsch, O, Alzari, P.M, Buschiazzo, A. | Deposit date: | 2010-11-10 | Release date: | 2011-06-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of an enzymatically inactive trans-sialidase-like lectin from Trypanosoma cruzi: the carbohydrate binding mechanism involves residual sialidase activity. Biochim.Biophys.Acta, 1814, 2011
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3G2G
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![BU of 3g2g by Molmil](/molmil-images/mine/3g2g) | S437Y Mutant of human muscle pyruvate kinase, isoform M2 | Descriptor: | Pyruvate kinase isozymes M1/M2, SULFATE ION, UNKNOWN ATOM OR ION | Authors: | Hong, B, Dimov, S, Allali-Hassani, A, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, c, Weigelt, J, Bochkarev, A, Vedadi, M, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2009-01-31 | Release date: | 2009-03-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | S437Y Mutant of human muscle pyruvate kinase, isoform M2 To be Published
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3UGJ
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![BU of 3ugj by Molmil](/molmil-images/mine/3ugj) | Formyl Glycinamide ribonucletide amidotransferase from Salmonella Typhimurum: Role of the ATP complexation and glutaminase domain in catalytic coupling | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Phosphoribosylformylglycinamidine synthase, ... | Authors: | Morar, M, Tanwar, A.S, Panjikar, S, Anand, R. | Deposit date: | 2011-11-02 | Release date: | 2012-06-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Formylglycinamide ribonucleotide amidotransferase from Salmonella typhimurium: role of ATP complexation and the glutaminase domain in catalytic coupling Acta Crystallogr.,Sect.D, 68, 2012
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3UUF
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![BU of 3uuf by Molmil](/molmil-images/mine/3uuf) | Crystal structure of mono- and diacylglycerol lipase from Malassezia globosa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LIP1, secretory lipase (Family 3), ... | Authors: | Xu, T, Xu, J, Hou, S, Liu, J. | Deposit date: | 2011-11-28 | Release date: | 2012-04-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of a mono- and diacylglycerol lipase from Malassezia globosa reveals a novel lid conformation and insights into the substrate specificity. J.Struct.Biol., 178, 2012
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3PV5
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2NXZ
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![BU of 2nxz by Molmil](/molmil-images/mine/2nxz) | HIV-1 gp120 Envelope Glycoprotein (T257S, S334A, S375W) Complexed with CD4 and Antibody 17b | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY 17B, ... | Authors: | Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D. | Deposit date: | 2006-11-20 | Release date: | 2007-02-06 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural definition of a conserved neutralization epitope on HIV-1 gp120. Nature, 445, 2007
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2NRZ
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![BU of 2nrz by Molmil](/molmil-images/mine/2nrz) | |
2NYA
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![BU of 2nya by Molmil](/molmil-images/mine/2nya) | Crystal structure of the periplasmic nitrate reductase (NAP) from Escherichia coli | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM(VI) ION, ... | Authors: | Jepson, B.J.N, Richardson, D.J, Hemmings, A.M. | Deposit date: | 2006-11-20 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Spectropotentiometric and structural analysis of the periplasmic nitrate reductase from Escherichia coli J.Biol.Chem., 282, 2007
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3PVW
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![BU of 3pvw by Molmil](/molmil-images/mine/3pvw) | |
2NT0
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![BU of 2nt0 by Molmil](/molmil-images/mine/2nt0) | Acid-beta-glucosidase low pH, glycerol bound | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Glucosylceramidase, ... | Authors: | Lieberman, R.L, Petsko, G.A, Ringe, D. | Deposit date: | 2006-11-06 | Release date: | 2006-12-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure of acid beta-glucosidase with pharmacological chaperone provides insight into Gaucher disease. Nat.Chem.Biol., 3, 2007
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3UI6
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![BU of 3ui6 by Molmil](/molmil-images/mine/3ui6) | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4, SODIUM ION, ... | Authors: | Mueller, J.W, Link, N.M, Matena, A, Hoppstock, L, Rueppel, A, Bayer, P, Blankenfeldt, W. | Deposit date: | 2011-11-04 | Release date: | 2012-11-07 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (0.89 Å) | Cite: | 0.89 A resolution crystal structure of human Parvulin 14 in complex with oxidized DTT To be Published
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2O16
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![BU of 2o16 by Molmil](/molmil-images/mine/2o16) | Crystal structure of a putative acetoin utilization protein (AcuB) from Vibrio cholerae | Descriptor: | Acetoin utilization protein AcuB, putative, PHOSPHATE ION | Authors: | Patskovsky, Y, Bonanno, J.B, Rutter, M, Bain, K.T, Powell, A, Slocombe, A, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2006-11-28 | Release date: | 2006-12-12 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of a putative acetoin utilization protein (AcuB) from Vibrio cholerae To be Published
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3PX4
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![BU of 3px4 by Molmil](/molmil-images/mine/3px4) | |
3UJ4
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![BU of 3uj4 by Molmil](/molmil-images/mine/3uj4) | Crystal structure of the apo-inositol 1,4,5-trisphosphate receptor | Descriptor: | Inositol 1,4,5-trisphosphate receptor type 1, SULFATE ION | Authors: | Ikura, M, Seo, M.D, Ishiyama, N, Stathopulos, P. | Deposit date: | 2011-11-07 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural and functional conservation of key domains in InsP3 and ryanodine receptors. Nature, 483, 2012
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3PNM
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![BU of 3pnm by Molmil](/molmil-images/mine/3pnm) | Crystal Structure of E.coli Dha kinase DhaK (H56A) | Descriptor: | PTS-dependent dihydroxyacetone kinase, dihydroxyacetone-binding subunit dhaK | Authors: | Shi, R, McDonald, L, Matte, A, Cygler, M, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | Deposit date: | 2010-11-19 | Release date: | 2011-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase. Proc.Natl.Acad.Sci.USA, 108, 2011
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2NV9
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![BU of 2nv9 by Molmil](/molmil-images/mine/2nv9) | The X-ray Crystal Structure of the Paramecium bursaria Chlorella virus arginine decarboxylase | Descriptor: | A207R protein, arginine decarboxylase, PYRIDOXAL-5'-PHOSPHATE | Authors: | Shah, R.H, Akella, R, Goldsmith, E, Phillips, M.A. | Deposit date: | 2006-11-11 | Release date: | 2007-03-20 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | X-ray Structure of Paramecium bursaria Chlorella Virus Arginine Decarboxylase: Insight into the Structural Basis for Substrate Specificity. Biochemistry, 46, 2007
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3FYU
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![BU of 3fyu by Molmil](/molmil-images/mine/3fyu) | |