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5W83
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BU of 5w83 by Molmil
Rpn8/Rpn11 dimer complex
Descriptor: 26S proteasome regulatory subunit RPN8, Ubiquitin carboxyl-terminal hydrolase RPN11, ZINC ION
Authors:Dong, K.C, Worden, E.J, Martin, A.
Deposit date:2017-06-21
Release date:2017-09-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.554 Å)
Cite:An AAA Motor-Driven Mechanical Switch in Rpn11 Controls Deubiquitination at the 26S Proteasome.
Mol. Cell, 67, 2017
8OZ2
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BU of 8oz2 by Molmil
Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
Descriptor: Aldo-keto reductase family 1 member B1, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Klee, L.-S, Heine, A, Klebe, G.
Deposit date:2023-05-08
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Human Aldose Reductase Mutant A299G/L300A in Complex with a Ligand with an IDD Structure ({5-fluoro-2-[(3-nitrobenzyl)carbamoyl]phenoxy}acetic acid)
To Be Published
5WDL
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BU of 5wdl by Molmil
A processive dipeptidyl aminopeptidase secreted from an established commensal bacterium P. distasonis
Descriptor: Aminopeptidase C, N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]glycinamide, POTASSIUM ION
Authors:Wolan, D.W, Xu, J.H, Solania, A, Chatterjee, S, Jiang, Z, ODonoghue, A.J.
Deposit date:2017-07-05
Release date:2018-07-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.625 Å)
Cite:A Commensal Dipeptidyl Aminopeptidase with Specificity for N-Terminal Glycine Degrades Human-Produced Antimicrobial Peptides in Vitro.
Acs Chem.Biol., 13, 2018
8P08
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BU of 8p08 by Molmil
Crystal structure of human CLK1 in complex with Leucettinib-21
Descriptor: (4~{Z})-4-(1,3-benzothiazol-6-ylmethylidene)-2-[[(2~{R})-1-methoxy-4-methyl-pentan-2-yl]amino]-1~{H}-imidazol-5-one, Dual specificity protein kinase CLK1
Authors:Kraemer, A, Schroeder, M, Meijer, L, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-05-09
Release date:2023-05-17
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human CLK1 bound in complex with Leucettinib-21
To Be Published
8P07
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BU of 8p07 by Molmil
Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Descriptor: 1,2-ETHANEDIOL, 7-(cyclopropylamino)-5-[[3-(1,2,4-triazol-4-yl)phenyl]amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Casein kinase II subunit alpha, ...
Authors:Kraemer, A, Ong, H.W, Yang, X, Bown, J.W, Chang, E, Willson, T, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-05-09
Release date:2023-05-17
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of human Casein Kinase II subunit alpha (CK2a1) in complex with 5-((3-(4H-1,2,4-triazol-4-yl)phenyl)amino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
To Be Published
8OVN
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BU of 8ovn by Molmil
X-ray structure of the SF-iGluSnFR-S72A
Descriptor: CITRIC ACID, Putative periplasmic binding transport protein,Green fluorescent protein
Authors:Tarnawski, M, Hellweg, L, Bergner, A, Hiblot, J, Leippe, P, Johnsson, K.
Deposit date:2023-04-26
Release date:2023-05-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray structure of the SF-iGluSnFR-S72A
To Be Published
8OVO
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BU of 8ovo by Molmil
X-ray structure of the SF-iGluSnFR-S72A in complex with L-aspartate
Descriptor: ASPARTIC ACID, Putative periplasmic binding transport protein,Green fluorescent protein
Authors:Tarnawski, M, Hellweg, L, Bergner, A, Hiblot, J, Leippe, P, Johnsson, K.
Deposit date:2023-04-26
Release date:2023-05-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray structure of the SF-iGluSnFR-S72A in complex with L-aspartate
To Be Published
8OVP
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BU of 8ovp by Molmil
X-ray structure of the iAspSnFR in complex with L-aspartate
Descriptor: ACETATE ION, ASPARTIC ACID, MAGNESIUM ION, ...
Authors:Tarnawski, M, Hellweg, L, Bergner, A, Hiblot, J, Leippe, P, Johnsson, K.
Deposit date:2023-04-26
Release date:2023-05-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray structure of the SF-iAspSnFR in complex with L-aspartate
To Be Published
5WIW
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BU of 5wiw by Molmil
Crystal structure of murine 4-1BB N128A mutant from HEK293T cells in P43 space group
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, SULFATE ION, ...
Authors:Zajonc, D.M, Bitra, A.
Deposit date:2017-07-20
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of murine 4-1BB and its interaction with 4-1BBL support a role for galectin-9 in 4-1BB signaling.
J. Biol. Chem., 293, 2018
5WJW
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BU of 5wjw by Molmil
Cryo-EM structure of B. subtilis flagellar filaments H84R
Descriptor: Flagellin
Authors:Wang, F, Burrage, A.M, Orlova, A, Kearns, D.B, Egelman, E.H.
Deposit date:2017-07-24
Release date:2017-10-25
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:A structural model of flagellar filament switching across multiple bacterial species.
Nat Commun, 8, 2017
6RH1
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BU of 6rh1 by Molmil
Revisiting pH-gated conformational switch. Complex HK853-RR468 D53A pH 7
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Response regulator, SULFATE ION, ...
Authors:Mideros-Mora, C, Casino, P, Marina, A.
Deposit date:2019-04-18
Release date:2020-02-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
8OQC
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BU of 8oqc by Molmil
Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking)
Descriptor: CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ...
Authors:Loreto, D, Merlino, A, Maity, B, Ueno, T.
Deposit date:2023-04-12
Release date:2023-06-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
8OQG
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BU of 8oqg by Molmil
Cross-linked crystal of dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (high temperature data collection)
Descriptor: CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ...
Authors:Loreto, D, Merlino, A, Maity, B, Ueno, T.
Deposit date:2023-04-12
Release date:2023-06-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
6RSV
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BU of 6rsv by Molmil
Endothiapepsin in complex with 017
Descriptor: 1~{H}-1,2,3,4-tetrazol-5-ylmethyldiazane, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Magari, F, Heine, A, Klebe, G.
Deposit date:2019-05-22
Release date:2020-07-08
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Endothiapepsin in complex with 017
To Be Published
1UPV
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BU of 1upv by Molmil
Crystal structure of the human Liver X receptor beta ligand binding domain in complex with a synthetic agonist
Descriptor: N-(2,2,2-TRIFLUOROETHYL)-N-{4-[2,2,2-TRIFLUORO-1-HYDROXY-1-(TRIFLUOROMETHYL)ETHYL]PHENYL}BENZENESULFONAMIDE, OXYSTEROLS RECEPTOR LXR-BETA
Authors:Hoerer, S, Schmid, A, Heckel, A, Budzinski, R.M, Nar, H.
Deposit date:2003-10-13
Release date:2004-10-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of the Human Liver X Receptor Beta Ligand-Binding Domain in Complex with a Synthetic Agonist
J.Mol.Biol., 334, 2003
8OQD
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BU of 8oqd by Molmil
Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking)
Descriptor: CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ...
Authors:Loreto, D, Merlino, A, Maity, B, Ueno, T.
Deposit date:2023-04-12
Release date:2023-06-14
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
8OQE
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BU of 8oqe by Molmil
Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (6 h soaking)
Descriptor: CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ...
Authors:Loreto, D, Merlino, A, Maity, B, Ueno, T.
Deposit date:2023-04-12
Release date:2023-06-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
8OQF
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BU of 8oqf by Molmil
Cross-linked crystal of Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (low temperature data collection)
Descriptor: (mi2-acetato-O, O')-hexaaquo-dirhodium (II), CHLORIDE ION, ...
Authors:Loreto, D, Merlino, A, Maity, B, Ueno, T.
Deposit date:2023-04-12
Release date:2023-06-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
8OO3
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BU of 8oo3 by Molmil
X-ray structure of the adduct formed upon reaction of cisplatin with human angiogenin after 5 days soaking
Descriptor: AMMONIA, Angiogenin, D(-)-TARTARIC ACID, ...
Authors:Ferraro, G, Merlino, A.
Deposit date:2023-04-04
Release date:2023-07-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Cisplatin binding to angiogenin protein: new molecular pathways and targets for the drug's anticancer activity.
Dalton Trans, 52, 2023
5ZDL
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BU of 5zdl by Molmil
Crystal Structure Analysis of TtQRS in co-crystallised with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Glutamine--tRNA ligase
Authors:Mutharasappan, N, Jain, V, Sharma, A, Manickam, Y, Jeyaraman, J.
Deposit date:2018-02-23
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional analysis of Glutaminyl-tRNA synthetase (TtGlnRS) from Thermus thermophilus HB8 and its complexes
Int. J. Biol. Macromol., 120, 2018
8OO4
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BU of 8oo4 by Molmil
X-ray structure of the adduct formed upon reaction of cisplatin with human angiogenin after 1 month soaking
Descriptor: AMMONIA, Angiogenin, PLATINUM (II) ION
Authors:Ferraro, G, Merlino, A.
Deposit date:2023-04-04
Release date:2023-07-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Cisplatin binding to angiogenin protein: new molecular pathways and targets for the drug's anticancer activity.
Dalton Trans, 52, 2023
6S2T
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BU of 6s2t by Molmil
Structure of the N-terminal catalytic region of T. thermophilus Rel bound to ppGpp
Descriptor: (P)ppGpp synthetase I, SpoT/RelA, CHLORIDE ION, ...
Authors:Garcia-Pino, A.
Deposit date:2019-06-22
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A nucleotide-switch mechanism mediates opposing catalytic activities of Rel enzymes.
Nat.Chem.Biol., 16, 2020
1T57
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BU of 1t57 by Molmil
Crystal Structure of the Conserved Protein MTH1675 from Methanobacterium thermoautotrophicum
Descriptor: Conserved Protein MTH1675, FLAVIN MONONUCLEOTIDE, MAGNESIUM ION
Authors:Kim, Y, Joachimiak, A, Saridakis, V, Xu, X, Arrowsmith, C.H, Christendat, D, Edwards, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-05-03
Release date:2004-08-03
Last modified:2018-06-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the Conserved Protein MTH1675 from Methanobacterium thermoautotrophicum
To be Published
5ZDM
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BU of 5zdm by Molmil
The ligand-free structure of FomD
Descriptor: CALCIUM ION, FomD, GLYCEROL
Authors:Sato, S, Miyanaga, A, Kudo, F, Eguchi, T.
Deposit date:2018-02-23
Release date:2018-07-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Biochemical and Structural Analysis of FomD That Catalyzes the Hydrolysis of Cytidylyl ( S)-2-Hydroxypropylphosphonate in Fosfomycin Biosynthesis.
Biochemistry, 57, 2018
5ZDQ
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BU of 5zdq by Molmil
Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with COLLETOCHLORIN B
Descriptor: 3-chloro-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4,6-dihydroxy-2-methylbenzaldehyde, Alternative oxidase, mitochondrial, ...
Authors:Shiba, T, Inaoka, D.K, Takahashi, G, Tsuge, C, Kido, Y, Young, L, Ueda, S, Balogun, E.O, Nara, T, Honma, T, Tanaka, A, Inoue, M, Saimoto, H, Harada, S, Moore, A.L, Kita, K.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase.
Biochim Biophys Acta Bioenerg, 1860, 2019

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