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6LYI
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BU of 6lyi by Molmil
Crystal structure of a N-methyltransferase CkTbS from Camellia assamica var. kucha
Descriptor: N-methyltransferase CkTbS
Authors:Wang, Y, Zhang, Z.M.
Deposit date:2020-02-14
Release date:2020-03-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Identification and characterization of N9-methyltransferase involved in converting caffeine into non-stimulatory theacrine in tea.
Nat Commun, 11, 2020
6M0W
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BU of 6m0w by Molmil
Crystal structure of Streptococcus thermophilus Cas9 in complex with the AGAA PAM
Descriptor: CRISPR-associated endonuclease Cas9 1, DNA (28-MER), DNA (5'-D(*AP*AP*AP*GP*AP*AP*GP*C)-3'), ...
Authors:Zhang, Y, Zhang, H, Xu, X, Wang, Y, Chen, W, Wang, Y, Wu, Z, Tang, N, Wang, Y, Zhao, S, Gan, J, Ji, Q.
Deposit date:2020-02-23
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Catalytic-state structure and engineering of Streptococcus thermophilus Cas9
Nat Catal, 2020
6LK9
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BU of 6lk9 by Molmil
Coho salmon ferritin
Descriptor: Coho salmon ferritin, FE (III) ION
Authors:Wang, Z, Zang, J, Li, H, Tan, X, Du, M.
Deposit date:2019-12-18
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Coho salmon ferritin
To Be Published
5IOT
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BU of 5iot by Molmil
Flavin-dependent thymidylate synthase R174A variant in complex with FAD and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase ThyX
Authors:Bernard, S.M, Stull, F.W, Smith, J.L.
Deposit date:2016-03-08
Release date:2016-06-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Deprotonations in the Reaction of Flavin-Dependent Thymidylate Synthase.
Biochemistry, 55, 2016
6LLB
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BU of 6llb by Molmil
Crystal structure of mpy-RNase J (mutant S247A), an archaeal RNase J from Methanolobus psychrophilus R15, in complex with 6 nt RNA
Descriptor: MPY-RNase J, RNA (5'-R(P*AP*AP*AP*AP*AP*A)-3'), SULFATE ION, ...
Authors:Li, D.F, Hou, Y.J, Guo, L.
Deposit date:2019-12-22
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A newly identified duplex RNA unwinding activity of archaeal RNase J depends on processive exoribonucleolysis coupled steric occlusion by its structural archaeal loops.
Rna Biol., 17, 2020
6LXA
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BU of 6lxa by Molmil
X-ray structure of human PPARalpha ligand binding domain-eicosapentaenoic acid (EPA) co-crystals obtained by delipidation and cross-seeding
Descriptor: 5,8,11,14,17-EICOSAPENTAENOIC ACID, GLYCEROL, Peroxisome proliferator-activated receptor alpha
Authors:Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I.
Deposit date:2020-02-10
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates.
Iscience, 23, 2020
6LS6
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BU of 6ls6 by Molmil
Crystal Structure of YEATS domain of AF9 in complex with H3K9bz peptide
Descriptor: 2, Protein AF-9
Authors:Li, H.T, Ren, X.L.
Deposit date:2020-01-17
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Histone benzoylation serves as an epigenetic mark for DPF and YEATS family proteins.
Nucleic Acids Res., 49, 2021
2G0Q
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BU of 2g0q by Molmil
Solution structure of At5g39720.1 from Arabidopsis thaliana
Descriptor: AT5G39720.1 protein
Authors:Volkman, B.F, Peterson, F.C, Lytle, B.L, Center for Eukaryotic Structural Genomics (CESG)
Deposit date:2006-02-13
Release date:2006-02-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of Arabidopsis thaliana protein At5g39720.1, a member of the AIG2-like protein family.
Acta Crystallogr.,Sect.F, 62, 2006
5HRR
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BU of 5hrr by Molmil
HIV Integrase Catalytic Domain containing F185K + A124N + T125S mutations complexed with GSK0002
Descriptor: (2S)-tert-butoxy[1-(3,4-difluorobenzyl)-6-methyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetic acid, 1,2-ETHANEDIOL, CACODYLATE ION, ...
Authors:Nolte, R.T.
Deposit date:2016-01-24
Release date:2016-12-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Structural Basis for Inhibitor-Induced Aggregation of HIV Integrase.
PLoS Biol., 14, 2016
7D42
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BU of 7d42 by Molmil
Structural basis of tropifexor as a potent and selective agonist for farnesoid X receptor
Descriptor: Bile acid receptor, Peptide from Nuclear receptor coactivator 2, Tropifexor
Authors:Jiang, L, Chen, Y.
Deposit date:2020-09-22
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.697 Å)
Cite:Structural basis of tropifexor as a potent and selective agonist of farnesoid X receptor.
Biochem.Biophys.Res.Commun., 534, 2021
2G2Y
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BU of 2g2y by Molmil
Structure of E.coli FabD complexed with malonate
Descriptor: MALONATE ION, Malonyl CoA-acyl carrier protein transacylase
Authors:Oefner, C.
Deposit date:2006-02-17
Release date:2006-05-30
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography.
Acta Crystallogr.,Sect.D, 62, 2006
2FXD
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BU of 2fxd by Molmil
X-ray crystal structure of HIV-1 protease IRM mutant complexed with atazanavir (BMS-232632)
Descriptor: (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5, 6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER, ACETATE ION, ...
Authors:Klei, H.E, Sheriff, S.
Deposit date:2006-02-04
Release date:2007-02-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystal structures of human immunodeficiency virus type 1 protease mutants complexed with atazanavir.
J.Virol., 81, 2007
2R8Z
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BU of 2r8z by Molmil
Crystal structure of YrbI phosphatase from Escherichia coli in complex with a phosphate and a calcium ion
Descriptor: 3-deoxy-D-manno-octulosonate 8-phosphate phosphatase, CALCIUM ION, PHOSPHATE ION
Authors:Tsodikov, O.V, Aggarwal, P, Rubin, J.R, Stuckey, J.A, Woodard, R.W, Biswas, T.
Deposit date:2007-09-11
Release date:2008-09-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Tail of KdsC: CONFORMATIONAL CHANGES CONTROL THE ACTIVITY OF A HALOACID DEHALOGENASE SUPERFAMILY PHOSPHATASE.
J.Biol.Chem., 284, 2009
2FXP
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BU of 2fxp by Molmil
Solution Structure of the SARS-Coronavirus HR2 Domain
Descriptor: Spike glycoprotein
Authors:Caffrey, M, Hakansson-McReynolds, S, Jiang, S.
Deposit date:2006-02-06
Release date:2006-03-07
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the severe acute respiratory syndrome-coronavirus heptad repeat 2 domain in the prefusion state
J.Biol.Chem., 281, 2006
2FXZ
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BU of 2fxz by Molmil
Solution structure of 97-109 segment of staphylococcal nuclease
Descriptor: 13-mer peptide from Thermonuclease
Authors:Wang, M, Shan, L, Wang, J.F.
Deposit date:2006-02-07
Release date:2006-12-19
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Two peptide fragments G55-I72 and K97-A109 from staphylococcal nuclease exhibit different behaviors in conformational preferences for helix formation
Biopolymers, 83, 2006
2RAC
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BU of 2rac by Molmil
AMICYANIN REDUCED, PH 7.7, 1.3 ANGSTROMS
Descriptor: COPPER (I) ION, PROTEIN (AMICYANIN)
Authors:Cunane, L.M, Chen, Z.-W, Durley, R.C.E, Mathews, F.S.
Deposit date:1998-10-02
Release date:1998-10-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular basis for interprotein complex-dependent effects on the redox properties of amicyanin.
Biochemistry, 37, 1998
5HT1
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BU of 5ht1 by Molmil
Structure of apo C. glabrata FKBP12
Descriptor: FK506-binding protein 1
Authors:Schumacher, M.A.
Deposit date:2016-01-26
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.651 Å)
Cite:Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
5HT6
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BU of 5ht6 by Molmil
Crystal structure of the SET domain of the human MLL5 methyltransferase
Descriptor: Histone-lysine N-methyltransferase 2E
Authors:le Maire, A, Mas-y-Mas, S, Dumas, C, Lebedev, A.
Deposit date:2016-01-26
Release date:2016-11-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:The Human Mixed Lineage Leukemia 5 (MLL5), a Sequentially and Structurally Divergent SET Domain-Containing Protein with No Intrinsic Catalytic Activity.
Plos One, 11, 2016
6XD3
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BU of 6xd3 by Molmil
Structure of the human CAK in complex with THZ1
Descriptor: CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ...
Authors:Greber, B.J, Perez-Bertoldi, J.M, Lim, K, Iavarone, A.T, Toso, D.B, Nogales, E.
Deposit date:2020-06-09
Release date:2020-09-09
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The cryoelectron microscopy structure of the human CDK-activating kinase.
Proc.Natl.Acad.Sci.USA, 117, 2020
7D5L
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BU of 7d5l by Molmil
Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection
Descriptor: NS3/4A Protease, ZINC ION, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate
Authors:Ghosh, K, Anumula, R, Kumar, A.
Deposit date:2020-09-26
Release date:2020-12-16
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 63, 2020
2G4O
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BU of 2g4o by Molmil
anomalous substructure of 3-ISOPROPYLMALATE DEHYDROGENASE
Descriptor: 3-isopropylmalate dehydrogenase, CHLORIDE ION, SULFATE ION
Authors:Mueller-Dieckmann, C, Weiss, M.S.
Deposit date:2006-02-22
Release date:2007-02-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2 Å)
Cite:On the routine use of soft X-rays in macromolecular crystallography. Part IV. Efficient determination of anomalous substructures in biomacromolecules using longer X-ray wavelengths.
Acta Crystallogr.,Sect.D, 63, 2007
5HVT
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BU of 5hvt by Molmil
Crystal Structure of Macrophage Migration Inhibitory Factor (MIF) with a Potent Inhibitor (NVS-2)
Descriptor: 7-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1,3-benzoxazin-2-one, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Robertson, M.J, Jorgensen, W.L.
Deposit date:2016-01-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A Fluorescence Polarization Assay for Binding to Macrophage Migration Inhibitory Factor and Crystal Structures for Complexes of Two Potent Inhibitors.
J.Am.Chem.Soc., 138, 2016
2R6E
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BU of 2r6e by Molmil
Crystal Form B2
Descriptor: Replicative helicase, SULFATE ION
Authors:Bailey, S, Eliason, W.K, Steitz, T.A.
Deposit date:2007-09-05
Release date:2007-11-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (5.019 Å)
Cite:Structure of hexameric DnaB helicase and its complex with a domain of DnaG primase
Science, 318, 2007
5HW8
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BU of 5hw8 by Molmil
Candida albicans FKBP12 P104G protein bound with FK506 in C2 space group
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, FK506-binding protein 1
Authors:Tonthat, N.K, Schumacher, M.A.
Deposit date:2016-01-28
Release date:2016-09-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Structures of Pathogenic Fungal FKBP12s Reveal Possible Self-Catalysis Function.
Mbio, 7, 2016
2G1H
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BU of 2g1h by Molmil
Structure of E.coli FabD complexed with glycerol
Descriptor: GLYCEROL, Malonyl CoA-acyl carrier protein transacylase
Authors:Oefner, C.
Deposit date:2006-02-14
Release date:2006-05-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Mapping the active site of Escherichia coli malonyl-CoA-acyl carrier protein transacylase (FabD) by protein crystallography.
Acta Crystallogr.,Sect.D, 62, 2006

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