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PDB: 2660 results

4K0B
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BU of 4k0b by Molmil
Crystal structure of S-Adenosylmethionine synthetase from Sulfolobus solfataricus complexed with SAM and PPi
Descriptor: DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Wang, F, Hurley, K.A, Helmich, K.E, Singh, S, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2013-04-03
Release date:2013-05-01
Last modified:2014-10-08
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Understanding molecular recognition of promiscuity of thermophilic methionine adenosyltransferase sMAT from Sulfolobus solfataricus.
Febs J., 281, 2014
4G25
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BU of 4g25 by Molmil
Crystal Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana, SeMet substituted form with Sr
Descriptor: Pentatricopeptide repeat-containing protein At2g32230, mitochondrial, STRONTIUM ION, ...
Authors:Koutmos, M, Howard, M.J, Fierke, C.A.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mitochondrial ribonuclease P structure provides insight into the evolution of catalytic strategies for precursor-tRNA 5' processing.
Proc.Natl.Acad.Sci.USA, 109, 2012
2ICY
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BU of 2icy by Molmil
Crystal Structure of a Putative UDP-glucose Pyrophosphorylase from Arabidopsis Thaliana with Bound UDP-glucose
Descriptor: DIMETHYL SULFOXIDE, Probable UTP-glucose-1-phosphate uridylyltransferase 2, URIDINE-5'-DIPHOSPHATE-GLUCOSE, ...
Authors:McCoy, J.G, Wesenberg, G.E, Phillips Jr, G.N, Bitto, E, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2006-09-13
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structure and Dynamics of UDP-Glucose Pyrophosphorylase from Arabidopsis thaliana with Bound UDP-Glucose and UTP.
J.Mol.Biol., 366, 2007
2II3
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BU of 2ii3 by Molmil
Crystal structure of a cubic core of the dihydrolipoamide acyltransferase (E2b) component in the branched-chain alpha-ketoacid dehydrogenase complex (BCKDC), Oxidized Coenzyme A-bound form
Descriptor: ACETATE ION, CHLORIDE ION, Lipoamide acyltransferase component of branched-chain alpha-keto acid dehydrogenase complex, ...
Authors:Kato, M, Wynn, R.M, Chuang, J.L, Brautigam, C.A, Custorio, M, Chuang, D.T.
Deposit date:2006-09-27
Release date:2006-12-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A synchronized substrate-gating mechanism revealed by cubic-core structure of the bovine branched-chain alpha-ketoacid dehydrogenase complex.
Embo J., 25, 2006
2IIE
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BU of 2iie by Molmil
single chain Integration Host Factor protein (scIHF2) in complex with DNA
Descriptor: DNA (5'-D(*DGP*DCP*DTP*DTP*DAP*DTP*DCP*DAP*DAP*DTP*DTP*DTP*DGP*DTP*DTP*DGP*DCP*DAP*DCP*DC)-3'), DNA (5'-D(*DGP*DGP*DCP*DCP*DAP*DAP*DAP*DAP*DAP*DAP*DGP*DCP*DAP*DTP*DT)-3'), Integration host factor, ...
Authors:Bao, Q, Droege, P, Davey, C.A.
Deposit date:2006-09-28
Release date:2007-02-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A Divalent Metal-mediated Switch Controlling Protein-induced DNA Bending
J.Mol.Biol., 367, 2007
4KLB
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BU of 4klb by Molmil
Crystal Structure of Cruzain in complex with the non-covalent inhibitor Nequimed176
Descriptor: 2-{[(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino}thiophene-3-carboxamide, Cruzipain
Authors:Fernandes, W.B, Montanari, C.A, Mckerrow, J.H.
Deposit date:2013-05-07
Release date:2013-09-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Non-peptidic Cruzain Inhibitors with Trypanocidal Activity Discovered by Virtual Screening and In Vitro Assay.
Plos Negl Trop Dis, 7, 2013
6CRZ
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BU of 6crz by Molmil
SARS Spike Glycoprotein, Trypsin-cleaved, Stabilized variant, C3 symmetry
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Fibritin, ...
Authors:Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B.
Deposit date:2018-03-19
Release date:2018-04-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
3LKH
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BU of 3lkh by Molmil
Inhibitors of Hepatitis C Virus Polymerase: Synthesis and Characterization of Novel 6-Fluoro-N-[2-Hydroxy-1(S)-Benzamides
Descriptor: 2-(2-{[(1S)-1-benzyl-2-hydroxyethyl]amino}-2-oxoethoxy)-N-butyl-6-fluoro-N-methylbenzamide, RNA-directed RNA polymerase
Authors:Lesburg, C.A.
Deposit date:2010-01-27
Release date:2010-03-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Inhibitors of hepatitis C virus polymerase: synthesis and characterization of novel 2-oxy-6-fluoro-N-((S)-1-hydroxy-3-phenylpropan-2-yl)-benzamides.
Bioorg.Med.Chem.Lett., 20, 2010
6CTZ
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BU of 6ctz by Molmil
Structure of the GDP and kanamycin complex of APH(2")-IIia
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, Gentamicin resistance protein, ...
Authors:Smith, C.A, Vakulenko, S.B.
Deposit date:2018-03-23
Release date:2019-03-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structural basis for the diversity of the mechanism of nucleotide hydrolysis by the aminoglycoside-2''-phosphotransferases
Acta Crystallogr.,Sect.D, 75, 2019
6CVY
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BU of 6cvy by Molmil
Crystal structure of HCV NS3/4A WT protease in complex with AJ-21 (MK-5172 linear analogue)
Descriptor: 3-methyl-N-[(pentyloxy)carbonyl]-L-valyl-(4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-L-prolinamide, GLYCEROL, NS3 protease, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-03-29
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.
ACS Med Chem Lett, 9, 2018
4G23
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BU of 4g23 by Molmil
Crystal Structure of proteinaceous RNase P 1 (PRORP1) from A. thaliana with Mn
Descriptor: Pentatricopeptide repeat-containing protein At2g32230, mitochondrial, ZINC ION
Authors:Koutmos, M, Howard, M.J, Fierke, C.A.
Deposit date:2012-07-11
Release date:2012-09-26
Last modified:2012-11-14
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Mitochondrial ribonuclease P structure provides insight into the evolution of catalytic strategies for precursor-tRNA 5' processing.
Proc.Natl.Acad.Sci.USA, 109, 2012
1NR1
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BU of 1nr1 by Molmil
Crystal structure of the R463A mutant of human Glutamate dehydrogenase
Descriptor: Glutamate dehydrogenase 1
Authors:Banerjee, S, Schmidt, T, Fang, J, Stanley, C.A, Smith, T.J.
Deposit date:2003-01-23
Release date:2003-05-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural studies on ADP activation of mammalian glutamate dehydrogenase and the evolution of regulation
Biochemistry, 42, 2003
6V7D
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BU of 6v7d by Molmil
Human Arginase1 Complexed with Bicyclic Inhibitor Compound 10
Descriptor: Arginase-1, MANGANESE (II) ION, {3-[(3aR,4R,5S,6aR)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-)
Authors:Palte, R.L, Lesburg, C.A.
Deposit date:2019-12-08
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
6VDM
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BU of 6vdm by Molmil
HCV NS3/4A protease A156T, D168E double mutant in complex with glecaprevir
Descriptor: (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclop ropyl]-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta[18,19][1,10,17, 3,6]trioxadiazacyclononadecino[11,12-b]quinoxaline-10-carboxamide, GLYCEROL, ...
Authors:Timm, J, Schiffer, C.A.
Deposit date:2019-12-27
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:RAS at position 156 of HCV NS3/4A protease abolish inhibition by current HCV drugs
To Be Published
6CS2
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BU of 6cs2 by Molmil
SARS Spike Glycoprotein - human ACE2 complex, Stabilized variant, all ACE2-bound particles
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Kirchdoerfer, R.N, Wang, N, Pallesen, J, Turner, H.L, Cottrell, C.A, McLellan, J.S, Ward, A.B.
Deposit date:2018-03-19
Release date:2018-04-11
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Stabilized coronavirus spikes are resistant to conformational changes induced by receptor recognition or proteolysis.
Sci Rep, 8, 2018
6CVW
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BU of 6cvw by Molmil
Crystal structure of HCV NS3/4A WT protease in complex with AJ-52 (MK-5172 linear analogue)
Descriptor: N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide, NS3 protease, SULFATE ION, ...
Authors:Matthew, A.N, Schiffer, C.A.
Deposit date:2018-03-29
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Quinoxaline-Based Linear HCV NS3/4A Protease Inhibitors Exhibit Potent Activity against Drug Resistant Variants.
ACS Med Chem Lett, 9, 2018
6V7T
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BU of 6v7t by Molmil
Crystal structure of CTX-M-14 E166A/D240G beta-lactamase in complex with ceftazidime
Descriptor: ACYLATED CEFTAZIDIME, Beta-lactamase
Authors:Brown, C.A, Hu, L, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
Deposit date:2019-12-09
Release date:2020-04-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Antagonism between substitutions in beta-lactamase explains a path not taken in the evolution of bacterial drug resistance.
J.Biol.Chem., 295, 2020
2LUZ
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BU of 2luz by Molmil
Solution NMR Structure of CalU16 from Micromonospora echinospora, Northeast Structural Genomics Consortium (NESG) Target MiR12
Descriptor: CalU16
Authors:Ramelot, T.A, Yang, Y, Lee, H, Pederson, K, Lee, D, Kohan, E, Janjua, H, Xiao, R, Acton, T.B, Everett, J.K, Wrobel, R.L, Bingman, C.A, Singh, S, Thorson, J.S, Prestegard, J.H, Montelione, G.T, Phillips Jr, G.N, Kennedy, M.A, Enzyme Discovery for Natural Product Biosynthesis (NatPro), Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-22
Release date:2012-10-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure-Guided Functional Characterization of Enediyne Self-Sacrifice Resistance Proteins, CalU16 and CalU19.
Acs Chem.Biol., 9, 2014
1MU8
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BU of 1mu8 by Molmil
thrombin-hirugen_l-378,650
Descriptor: 2-(6-CHLORO-3-{[2,2-DIFLUORO-2-(2-PYRIDINYL)ETHYL]AMINO}-2-OXO-1(2H)-PYRAZINYL)-N-[(2-FLUORO-3-METHYL-6-PYRIDINYL)METHYL]ACETAMIDE, HIRUDIN IIB, THROMBIN
Authors:Burgey, C.S, Robinson, K.A, Lyle, T.A, Sanderson, P.E, Lewis, S.D, Lucas, B.J, Krueger, J.A, Singh, R, Miller-Stein, C, White, R.B, Wong, B, Lyle, E.A, Williams, P.D, Coburn, C.A, Dorsey, B.D, Barrow, J.C, Stranieri, M.T, Holahan, M.A, Sitko, G.R, Cook, J.J, McMasters, D.R, McDonough, C.M, Sanders, W.M, Wallace, A.A, Clayton, F.C, Bohn, D, Leonard, Y.M, Detwiler Jr, T.J, Lynch Jr, J.J, Yan, Y, Chen, Z, Kuo, L, Gardell, S.J, Shafer, J.A, Vacca, J.P.J.
Deposit date:2002-09-23
Release date:2004-04-06
Last modified:2021-07-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metabolism-directed optimization of 3-aminopyrazinone acetamide thrombin inhibitors. Development of an orally bioavailable series containing P1 and P3 pyridines.
J.Med.Chem., 46, 2003
4DQF
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BU of 4dqf by Molmil
Crystal Structure of (G16A/L38A) HIV-1 Protease in Complex with DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, 1,2-ETHANEDIOL, Aspartyl protease, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
6VDO
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BU of 6vdo by Molmil
HCV NS3/4A protease A156T, D168E double mutant
Descriptor: BETA-MERCAPTOETHANOL, NS3 protease, SULFATE ION, ...
Authors:Timm, J, Schiffer, C.A.
Deposit date:2019-12-27
Release date:2020-12-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:apo structure of HCV NS3/4A protease A156T;D168E double mutant
To Be Published
1N17
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BU of 1n17 by Molmil
Structure and Dynamics of Thioguanine-modified Duplex DNA
Descriptor: 5'-D(*GP*CP*TP*AP*AP*GP*(S6G)P*AP*AP*AP*GP*CP*C)-3', 5'-D(*GP*GP*CP*TP*TP*TP*CP*CP*TP*TP*AP*GP*C)-3'
Authors:Somerville, L, Krynetski, E.Y, Krynetskaia, N.F, Beger, R.D, Zhang, W, Marhefka, C.A, Evans, W.E, Kriwacki, R.W.
Deposit date:2002-10-16
Release date:2002-10-23
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and dynamics of thioguanine-modified duplex DNA
J.Biol.Chem., 278, 2003
4K5U
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BU of 4k5u by Molmil
Recognition of the BG-H Antigen by a Lamprey Variable Lymphocyte Receptor
Descriptor: Variable lymphocyte receptor, beta-D-galactopyranose
Authors:Luo, M, Velikovsky, C.A, Yang, X.B, Mariuzza, R.A.
Deposit date:2013-04-15
Release date:2013-06-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Recognition of the thomsen-friedenreich pancarcinoma carbohydrate antigen by a lamprey variable lymphocyte receptor.
J.Biol.Chem., 288, 2013
3SU2
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BU of 3su2 by Molmil
Crystal structure of NS3/4A protease variant A156T in complex with danoprevir
Descriptor: (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8 ,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate, Genome polyprotein, SULFATE ION, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2011-07-11
Release date:2012-09-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.496 Å)
Cite:The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
2HG0
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BU of 2hg0 by Molmil
Structure of the West Nile Virus envelope glycoprotein
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein
Authors:Nybakken, G.E, Nelson, C.A, Chen, B.R, Diamond, M.S, Fremont, D.H.
Deposit date:2006-06-26
Release date:2006-11-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3 Å)
Cite:Crystal structure of the West Nile virus envelope glycoprotein.
J.Virol., 80, 2006

226707

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