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3SUF
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BU of 3suf by Molmil
Crystal structure of NS3/4A protease variant D168A in complex with MK-5172
Descriptor: (1aR,5S,8S,10R,22aR)-5-tert-butyl-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-14-methoxy-3,6-di oxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadec ino[11,12-b]quinoxaline-8-carboxamide, NS3 protease, NS4A protein, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2011-07-11
Release date:2012-09-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SV7
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BU of 3sv7 by Molmil
Crystal structure of NS3/4A protease variant R155K in complex with Telaprevir
Descriptor: (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, NS3 protease, NS4A protein, ...
Authors:Schiffer, C.A, Romano, K.P.
Deposit date:2011-07-12
Release date:2012-09-05
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The Molecular Basis of Drug Resistance against Hepatitis C Virus NS3/4A Protease Inhibitors.
Plos Pathog., 8, 2012
3SZY
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BU of 3szy by Molmil
Crystal Structure of Phosphonoacetate hydrolase from Sinorhizobium meliloti 1021 in APO form
Descriptor: ZINC ION, phosphonoacetate hydrolase
Authors:Agarwal, V, Nair, S.K.
Deposit date:2011-07-19
Release date:2011-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural and mechanistic insights into C-p bond hydrolysis by phosphonoacetate hydrolase.
Chem.Biol., 18, 2011
3SQO
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BU of 3sqo by Molmil
PCSK9 J16 Fab complex
Descriptor: J16 Heavy chain, J16 Light chain, PCSK9 prodomain, ...
Authors:Strop, P.
Deposit date:2011-07-05
Release date:2012-05-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Proprotein convertase substilisin/kexin type 9 antagonism reduces low-density lipoprotein cholesterol in statin-treated hypercholesterolemic nonhuman primates.
J.Pharmacol.Exp.Ther., 340, 2012
3T29
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BU of 3t29 by Molmil
TMAO-grown trigonal trypsin (bovine)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Cahn, J, Venkat, M, Marshall, H, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3SSA
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BU of 3ssa by Molmil
Crystal structure of subunit B mutant N157T of the A1AO ATP synthase
Descriptor: 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Sundararaman, L, Manimekalai, M.S.S, Jeyakanthan, J, Gruber, G.
Deposit date:2011-07-08
Release date:2012-09-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of subunit A mutants H156A, N157A and N157T of the A1AO ATP synthase
To be Published
3SSX
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BU of 3ssx by Molmil
E. coli trp aporeporessor L75F mutant
Descriptor: TRIS(HYDROXYETHYL)AMINOMETHANE, Trp operon repressor
Authors:Benoff, B, Carey, J, Berman, H.M, Lawson, C.L.
Deposit date:2011-07-08
Release date:2011-07-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5801 Å)
Cite:Environment-dependent long-range structural distortion in a temperature-sensitive point mutant.
Protein Sci., 21, 2012
3T2J
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BU of 3t2j by Molmil
Tetragonal thermolysin in the presence of betaine
Descriptor: CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Cahn, J, Hti Lar Seng, N.S, Juers, D.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:The use of trimethylamine N-oxide as a primary precipitating agent and related methylamine osmolytes as cryoprotective agents for macromolecular crystallography.
Acta Crystallogr.,Sect.D, 68, 2012
3T48
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BU of 3t48 by Molmil
Crystal Structure of truncated form of Staphylococcal Complement Inhibitor D (SCIN-D) at 1.5 Angstrom
Descriptor: SCIN-D
Authors:Garcia, B.L, Geisbrecht, B.V, Summers, B.J.
Deposit date:2011-07-25
Release date:2011-11-23
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diversity in the C3b Convertase Contact Residues and Tertiary Structures of the Staphylococcal Complement Inhibitor (SCIN) Protein Family.
J.Biol.Chem., 287, 2012
3T4H
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BU of 3t4h by Molmil
Crystal Structure of AlkB in complex with Fe(III) and N-Oxalyl-S-(3-nitrobenzyl)-L-cysteine
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, FE (III) ION, ...
Authors:Ma, J, Aik, W.S, McDonough, M.A, Schofield, C.J.
Deposit date:2011-07-26
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dynamic combinatorial mass spectrometry leads to inhibitors of a 2-oxoglutarate-dependent nucleic Acid demethylase.
J.Med.Chem., 55, 2012
3T51
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BU of 3t51 by Molmil
Crystal structures of the pre-extrusion and extrusion states of the CusBA adaptor-transporter complex
Descriptor: COPPER (II) ION, Cation efflux system protein CusA, Cation efflux system protein CusB
Authors:Su, C.-C, Long, F, Yu, E.W.
Deposit date:2011-07-26
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Charged Amino Acids (R83, E567, D617, E625, R669, and K678) of CusA Are Required for Metal Ion Transport in the Cus Efflux System.
J.Mol.Biol., 422, 2012
3T67
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BU of 3t67 by Molmil
Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
Descriptor: CATECHOL, FE (III) ION, GLYCEROL, ...
Authors:Purpero, V.M, Lipscomb, J.D.
Deposit date:2011-07-28
Release date:2012-08-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Axial Ligand Swapping In Double Mutant Maintains Intradiol-cleavage Chemistry in Protocatechuate 3,4-Dioxygenase
To be Published
3T6V
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BU of 3t6v by Molmil
Crystal Structure of Laccase from Steccherinum ochraceum
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ...
Authors:Ferraroni, M, Briganti, F, Matera, I, Kolomytseva, M, Golovleva, L, Scozzafava, A, Chernykh, A.M.
Deposit date:2011-07-29
Release date:2012-04-18
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Reaction intermediates and redox state changes in a blue laccase from Steccherinum ochraceum observed by crystallographic high/low X-ray dose experiments.
J.Inorg.Biochem., 111, 2012
3SXC
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BU of 3sxc by Molmil
Crystal structure of BBBB+UDP+Gal with Glycerol as the cryoprotectant
Descriptor: DI(HYDROXYETHYL)ETHER, Histo-blood group ABO system transferase, MANGANESE (II) ION, ...
Authors:Johal, A.R, Evans, S.V.
Deposit date:2011-07-14
Release date:2012-02-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Sequence-dependent effects of cryoprotectants on the active sites of the human ABO(H) blood group A and B glycosyltransferases.
Acta Crystallogr.,Sect.D, 68, 2012
3SXK
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BU of 3sxk by Molmil
Zn2+-bound FCD domain of TM0439, a putative transcriptional regulator
Descriptor: BICARBONATE ION, SULFATE ION, Transcriptional regulator, ...
Authors:Czelakowski, G.P, Derewenda, Z.S, Integrated Center for Structure and Function Innovation (ISFI)
Deposit date:2011-07-15
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Zn2+-bound FCD domain of TM0439, a putative transcriptional regulator
To be Published
3SZ3
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BU of 3sz3 by Molmil
Crystal structure of Tryptophanyl-tRNA synthetase from Vibrio cholerae with an endogenous tryptophan
Descriptor: GLYCEROL, TRYPTOPHAN, Tryptophanyl-tRNA synthetase
Authors:Cooper, D.R, Kudritska, M, Chruszcz, M, Savchenko, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-07-18
Release date:2011-09-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of Tryptophanyl-tRNA synthetase from Vibrio cholerae with an endogenous tryptophan
To be Published
3T94
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BU of 3t94 by Molmil
Crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase (MTAP) II complexed with 5'-deoxy-5'-methylthioadenosine and sulfate
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, 5'-methylthioadenosine phosphorylase (MtaP), SULFATE ION
Authors:Zhang, Y, Ealick, S.E.
Deposit date:2011-08-02
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.452 Å)
Cite:A corrected space group for Sulfolobus sulfataricus 5'-deoxy-5'-methylthioadenosine phosphorylase II.
Acta Crystallogr.,Sect.D, 68, 2012
3SZZ
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BU of 3szz by Molmil
Crystal Structure of Phosphonoacetate hydrolase from Sinorhizobium meliloti 1021 in complex with Acetate
Descriptor: ACETATE ION, ZINC ION, phosphonoacetate hydrolase
Authors:Agarwal, V, Nair, S.K.
Deposit date:2011-07-19
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and mechanistic insights into C-p bond hydrolysis by phosphonoacetate hydrolase.
Chem.Biol., 18, 2011
3T0T
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BU of 3t0t by Molmil
Crystal structure of S. aureus Pyruvate Kinase
Descriptor: N'-[(1E)-1-(1H-benzimidazol-2-yl)ethylidene]-5-bromo-2-hydroxybenzohydrazide, PHOSPHATE ION, Pyruvate kinase
Authors:Worrall, L.J, Vuckovic, M, Strynadka, N.C.J.
Deposit date:2011-07-20
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Cheminformatics-driven discovery of selective, nanomolar inhibitors for staphylococcal pyruvate kinase.
Acs Chem.Biol., 7, 2012
3TAR
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BU of 3tar by Molmil
Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to Duplex DNA with Cytosine-Adenine Mismatch at (n-6) Position
Descriptor: 5'-D(*GP*AP*CP*GP*TP*AP*CP*GP*TP*GP*AP*TP*CP*GP*CP*A)-3', 5'-D(*GP*CP*GP*AP*TP*CP*AP*CP*GP*CP*AP*CP*GP*TP*C)-3', DNA polymerase I, ...
Authors:Wang, W, Beese, L.S.
Deposit date:2011-08-04
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3TB3
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BU of 3tb3 by Molmil
Crystal structure of the UCH domain of UCH-L5 with 6 residues deleted
Descriptor: CALCIUM ION, Ubiquitin carboxyl-terminal hydrolase isozyme L5
Authors:Zhou, Z.R, Zha, M, Zhou, J, Hu, H.Y.
Deposit date:2011-08-05
Release date:2012-02-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Length of the active-site crossover loop defines the substrate specificity of ubiquitin C-terminal hydrolases for ubiquitin chains.
Biochem.J., 441, 2012
3TBC
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BU of 3tbc by Molmil
Small laccase from Streptomyces viridosporus T7A; alternate crystal form complexed with acetovanillone.
Descriptor: 1-(4-hydroxy-3-methoxyphenyl)ethanone, COPPER (II) ION, OXYGEN MOLECULE, ...
Authors:Lukk, T, Majumdar, S, Gerlt, J.A, Nair, S.K.
Deposit date:2011-08-05
Release date:2012-08-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Roles of small laccases from Streptomyces in lignin degradation.
Biochemistry, 53, 2014
3T1Y
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BU of 3t1y by Molmil
Structure of the Thermus thermophilus 30S ribosomal subunit complexed with a human anti-codon stem loop (HASL) of transfer RNA Lysine 3 (TRNALYS3) bound to an mRNA with an AAG-codon in the A-site and paromomycin
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Murphy, F.V, Vendeix, F.A.P, Cantara, W, Leszczynska, G, Gustilo, E.M, Sproat, B, Malkiewicz, A.A.P, Agris, P.F.
Deposit date:2011-07-22
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human tRNA(Lys3)(UUU) Is Pre-Structured by Natural Modifications for Cognate and Wobble Codon Binding through Keto-Enol Tautomerism.
J.Mol.Biol., 416, 2012
3T4Y
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BU of 3t4y by Molmil
S25-2- KDO monosaccharide complex
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, MAGNESIUM ION, S25-2 FAB (IGG1K) HEAVY CHAIN, ...
Authors:Nguyen, H.P, Seto, N.O, Mackenzie, C.R, Brade, L, Kosma, P, Brade, H, Evans, S.V.
Deposit date:2011-07-26
Release date:2011-08-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Germline antibody recognition of distinct carbohydrate epitopes.
Nat.Struct.Biol., 10, 2003
3TE0
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BU of 3te0 by Molmil
Crystal structure of HSC K148E
Descriptor: formate/nitrite transporter, octyl beta-D-glucopyranoside
Authors:Czyzewski, B.K, Wang, D.-N.
Deposit date:2011-08-11
Release date:2012-03-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Identification and characterization of a bacterial hydrosulphide ion channel.
Nature, 483, 2012

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