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7YOC
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BU of 7yoc by Molmil
Crystal structure of Fhb7
Descriptor: Fhb7
Authors:Yang, J, Liang, K, Xiao, J.Y, Lei, X.G.
Deposit date:2022-08-01
Release date:2024-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7.
Jacs Au, 4, 2024
5IJO
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BU of 5ijo by Molmil
Alternative composite structure of the inner ring of the human nuclear pore complex (16 copies of Nup188, 16 copies of Nup205)
Descriptor: Nuclear pore complex protein Nup155, Nuclear pore complex protein Nup205, Nuclear pore complex protein Nup93, ...
Authors:Kosinski, J, Mosalaganti, S, von Appen, A, Beck, M.
Deposit date:2016-03-02
Release date:2016-04-27
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (21.4 Å)
Cite:Molecular architecture of the inner ring scaffold of the human nuclear pore complex.
Science, 352, 2016
7D8V
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BU of 7d8v by Molmil
Crystal Structure of A Kinesin-3 KIF13B mutant-T192Y
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Kinesin family member 13B, ...
Authors:Ren, J.Q, Feng, W.
Deposit date:2020-10-10
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Motor domain-mediated autoinhibition dictates axonal transport by the kinesin UNC-104/KIF1A.
Plos Genet., 17, 2021
7YP0
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BU of 7yp0 by Molmil
Crystal structure of CtGST
Descriptor: Glutathione S-transferase
Authors:Yang, J, Fan, J.P, Lei, X.G.
Deposit date:2022-08-02
Release date:2024-02-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enzymatic Degradation of Deoxynivalenol with the Engineered Detoxification Enzyme Fhb7.
Jacs Au, 4, 2024
2GAT
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BU of 2gat by Molmil
SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA-1 BOUND TO DNA, NMR, REGULARIZED MEAN STRUCTURE
Descriptor: DNA (5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*TP*CP*TP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*AP*GP*AP*TP*AP*AP*AP*CP*AP*TP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1, ...
Authors:Clore, G.M, Tjandra, N, Starich, M, Omichinski, J.G, Gronenborn, A.M.
Deposit date:1997-11-07
Release date:1998-01-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution.
Nat.Struct.Biol., 4, 1997
2GBQ
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BU of 2gbq by Molmil
SOLUTION NMR STRUCTURE OF THE GRB2 N-TERMINAL SH3 DOMAIN COMPLEXED WITH A TEN-RESIDUE PEPTIDE DERIVED FROM SOS DIRECT REFINEMENT AGAINST NOES, J-COUPLINGS, AND 1H AND 13C CHEMICAL SHIFTS, 15 STRUCTURES
Descriptor: GRB2, SOS-1
Authors:Wittekind, M, Mapelli, C, Lee, V, Goldfarb, V, Friedrichs, M.S, Meyers, C.A, Mueller, L.
Deposit date:1996-12-23
Release date:1997-09-04
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Solution structure of the Grb2 N-terminal SH3 domain complexed with a ten-residue peptide derived from SOS: direct refinement against NOEs, J-couplings and 1H and 13C chemical shifts.
J.Mol.Biol., 267, 1997
4GTS
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BU of 4gts by Molmil
Engineered RabGGTase in complex with BMS analogue 16
Descriptor: 5-{(3R)-3-(4-hydroxybenzyl)-4-[(4-methoxyphenyl)sulfonyl]-1-[(1-methyl-1H-imidazol-5-yl)methyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-7-yl}furan-2-carbaldehyde, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ...
Authors:Guo, Z, Stigter, E.A, Bon, R.S, Waldmann, H, Blankenfeldt, W, Goody, R.S.
Deposit date:2012-08-29
Release date:2012-10-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Development of Selective, Potent RabGGTase Inhibitors
J.Med.Chem., 55, 2012
5IFU
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BU of 5ifu by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with Glyburide
Descriptor: 1,2-ETHANEDIOL, 5-chloro-N-(2-{4-[(cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide, CHLORIDE ION, ...
Authors:Dranow, D.M, Hewitt, S.N, Abendroth, J, Structural Genomics Consortium (SGC)
Deposit date:2016-02-26
Release date:2016-11-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Biochemical and Structural Characterization of Selective Allosteric Inhibitors of the Plasmodium falciparum Drug Target, Prolyl-tRNA-synthetase.
ACS Infect Dis, 3, 2017
2FOK
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BU of 2fok by Molmil
STRUCTURE OF RESTRICTION ENDONUCLEASE FOKI
Descriptor: FOKI RESTRICTION ENDONUCLEASE
Authors:Wah, D.A, Bitinaite, J, Schildkraut, I, Aggarwal, A.K.
Deposit date:1998-03-30
Release date:1998-06-17
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of FokI has implications for DNA cleavage.
Proc.Natl.Acad.Sci.Usa, 95, 1998
5IID
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BU of 5iid by Molmil
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one
Descriptor: 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one, Protein polybromo-1
Authors:Filippakopoulos, P, Picaud, S, Felletar, I, von Delft, F, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S.
Deposit date:2016-03-01
Release date:2016-06-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis.
J.Med.Chem., 59, 2016
4IF4
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BU of 4if4 by Molmil
Crystal Structure of the Magnesium and beryllofluoride-activated VraR from Staphylococcus aureus
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, Response regulator protein VraR, ...
Authors:Leonard, P.G, Stock, A.M.
Deposit date:2012-12-14
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Phosphorylation-dependent conformational changes and domain rearrangements in Staphylococcus aureus VraR activation.
Proc.Natl.Acad.Sci.USA, 110, 2013
2GOH
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BU of 2goh by Molmil
Three-dimensional Structure of the Trans-membrane Domain of Vpu from HIV-1 in Aligned Phospholipid Bicelles
Descriptor: VPU protein
Authors:Park, S.H, De Angelis, A.A, Nevzorov, A.A, Wu, C.H, Opella, S.J.
Deposit date:2006-04-12
Release date:2006-08-08
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Three-Dimensional Structure of the Transmembrane Domain of Vpu from HIV-1 in Aligned Phospholipid Bicelles.
Biophys.J., 91, 2006
6LPU
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BU of 6lpu by Molmil
Crystal structure of human D-2-hydroxyglutarate dehydrogenase in complex with L-2-hydroxyglutarate (L-2-HG)
Descriptor: (2S)-2-HYDROXYPENTANEDIOIC ACID, D-2-hydroxyglutarate dehydrogenase, mitochondrial, ...
Authors:Yang, J, Zhu, H, Ding, J.
Deposit date:2020-01-12
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.923 Å)
Cite:Structure, substrate specificity, and catalytic mechanism of human D-2-HGDH and insights into pathogenicity of disease-associated mutations.
Cell Discov, 7, 2021
4CXJ
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BU of 4cxj by Molmil
BTB domain of KEAP1 C151W mutant
Descriptor: KELCH-LIKE ECH-ASSOCIATED PROTEIN 1
Authors:Cleasby, A, Yon, J, Day, P.J, Richardson, C, Tickle, I.J, Williams, P.A, Callahan, J.F, Carr, R, Concha, N, Kerns, J.K, Qi, H, Sweitzer, T, Ward, P, Davies, T.G.
Deposit date:2014-04-07
Release date:2014-06-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the Btb Domain of Keap1 and its Interaction with the Triterpenoid Antagonist Cddo.
Plos One, 9, 2014
6M1W
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BU of 6m1w by Molmil
Structure of the 2-Aminoisobutyric acid Monooxygenase Hydroxylase
Descriptor: Amidohydrolase, CHLORIDE ION, FE (III) ION, ...
Authors:Hibi, M, Mikami, B, Ogawa, J.
Deposit date:2020-02-26
Release date:2021-01-06
Last modified:2021-01-27
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A three-component monooxygenase from Rhodococcus wratislaviensis may expand industrial applications of bacterial enzymes.
Commun Biol, 4, 2021
7D9L
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BU of 7d9l by Molmil
Crystal structure of E. coli Grx2: Enzyme inhibited state in complex with Zinc and glutathione sulfinic acid
Descriptor: CHLORIDE ION, Glutaredoxin, L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE, ...
Authors:Sreekumar, S.N, Arockiasamy, A.
Deposit date:2020-10-13
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Crystal structure of E. coli Grx2: Enzyme inhibited state in complex with Zinc and glutathione sulfinic acid
To Be Published
7DBJ
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BU of 7dbj by Molmil
Crystal structure of human LDHB in complex with NADH, oxamate, and AXKO-0046
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-lactate dehydrogenase B chain, ...
Authors:Sogabe, S, Miwa, M.
Deposit date:2020-10-20
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
7ZJR
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BU of 7zjr by Molmil
X-ray structure of the periplasmic region of PilJ from P. aeruginosa
Descriptor: Protein PilJ
Authors:Pierrat, X, Pojer, F, Persat, A.
Deposit date:2022-04-11
Release date:2022-04-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.50312161 Å)
Cite:X-ray structure of the periplasmic region of PilJ from P. aeruginosa
To Be Published
3O6T
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BU of 3o6t by Molmil
Mycobacterium tuberculosis thioredoxin C C40S mutant in Complex with Quinol Inhibitor PMX464
Descriptor: 4-(1,3-benzothiazol-2-yl)-4-hydroxycyclohexa-2,5-dien-1-one, TRIETHYLENE GLYCOL, Thioredoxin
Authors:Hall, G, Emsley, J.
Deposit date:2010-07-29
Release date:2010-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of Mycobacterium tuberculosis thioredoxin in complex with quinol inhibitor PMX464
Protein Sci., 20, 2011
7ZGP
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BU of 7zgp by Molmil
Polymerase module of CPF in complex with Mpe1 and a pre-cleaved CYC1 RNA
Descriptor: MPE1 isoform 1, Polyadenylation factor subunit 2, Protein CFT1, ...
Authors:Rodriguez-Molina, J.B, Passmore, L.A.
Deposit date:2022-04-04
Release date:2022-05-25
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Mpe1 senses the binding of pre-mRNA and controls 3' end processing by CPF.
Mol.Cell, 82, 2022
7DBK
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BU of 7dbk by Molmil
Crystal structure of human LDHB in complex with NADH
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, L-lactate dehydrogenase B chain
Authors:Sogabe, S, Miwa, M.
Deposit date:2020-10-20
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Identification of the first highly selective inhibitor of human lactate dehydrogenase B.
Sci Rep, 11, 2021
6LQM
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BU of 6lqm by Molmil
Cryo-EM structure of a pre-60S ribosomal subunit - state C
Descriptor: 28S rRNA, 5.8S rRNA, 5S rRNA, ...
Authors:Liang, X, Zuo, M, Zhang, Y, Li, N, Ma, C, Dong, M, Gao, N.
Deposit date:2020-01-14
Release date:2020-08-26
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural snapshots of human pre-60S ribosomal particles before and after nuclear export.
Nat Commun, 11, 2020
5I2G
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BU of 5i2g by Molmil
1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity
Descriptor: Diol dehydratase, S-1,2-PROPANEDIOL
Authors:LaMattina, J.W, Reitzer, P, Kapoor, S, Galzerani, F, Koch, D.J, Gouvea, I.E, Lanzilotta, W.N.
Deposit date:2016-02-08
Release date:2016-06-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.352 Å)
Cite:1,2-Propanediol Dehydration in Roseburia inulinivorans: STRUCTURAL BASIS FOR SUBSTRATE AND ENANTIOMER SELECTIVITY.
J.Biol.Chem., 291, 2016
7ZGR
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BU of 7zgr by Molmil
Polymerase module of yeast CPF in complex with Mpe1, the yPIM of Cft2 and the pre-cleaved CYC1 RNA
Descriptor: Cleavage factor two protein 2, MPE1 isoform 1, Polyadenylation factor subunit 2, ...
Authors:Rodriguez-Molina, J.B, Passmore, L.A.
Deposit date:2022-04-04
Release date:2022-05-25
Last modified:2022-07-20
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Mpe1 senses the binding of pre-mRNA and controls 3' end processing by CPF.
Mol.Cell, 82, 2022
5I2Z
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BU of 5i2z by Molmil
Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelating water-soluble inhibitor (DC24).
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, DIMETHYL SULFOXIDE, ...
Authors:Stura, E.A, Rosalia, L, Cuffaro, D, Tepshi, L, Ciccone, L, Rossello, A.
Deposit date:2016-02-09
Release date:2016-07-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Chemmedchem, 11, 2016

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