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8CCW
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BU of 8ccw by Molmil
Crystal structure of human Sirt3 in complex with an acetylated HIV1 Tat-46-54 substrate peptide
Descriptor: NAD-dependent protein deacetylase sirtuin-3, mitochondrial, Protein Tat, ...
Authors:Adolph, R.S, Steegborn, C.
Deposit date:2023-01-27
Release date:2023-05-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Molecular Mechanism of Sirtuin 1 Inhibition by Human Immunodeficiency Virus 1 Tat Protein.
Life, 13, 2023
8CO6
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BU of 8co6 by Molmil
Subtomogram average of Immature Rotavirus TLP penton
Descriptor: Inner capsid protein VP2, Intermediate capsid protein VP6, Outer capsid glycoprotein VP7, ...
Authors:Shah, P.N.M, Stuart, D.I.
Deposit date:2023-02-27
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
5XJ1
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BU of 5xj1 by Molmil
Crystal structure of spRlmCD
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HEXAETHYLENE GLYCOL, ...
Authors:Jiang, Y, Gong, Q.
Deposit date:2017-04-28
Release date:2017-11-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.753 Å)
Cite:Structural insights into substrate selectivity of ribosomal RNA methyltransferase RlmCD
PLoS ONE, 12, 2017
5XO7
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BU of 5xo7 by Molmil
Crystal structure of a novel ZEN lactonase mutant with ligand a
Descriptor: (3S,7R,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one, lactonase for protein
Authors:Zheng, Y.Y, Liu, W.T, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2017-05-27
Release date:2018-05-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity
Acs Catalysis, 8, 2018
8CBT
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BU of 8cbt by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT872
Descriptor: (2~{S})-2-[3-cyclopropyl-2-(3,4-dihydro-2~{H}-chromen-6-yl)-6-methyl-phenyl]-2-cyclopropyloxy-ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
Deposit date:2023-01-25
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
8CRL
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BU of 8crl by Molmil
Crystal structure of LplA1 in complex with the inhibitor C3 (Listeria monocytogenes)
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
Authors:Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A.
Deposit date:2023-03-08
Release date:2023-06-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
5XP1
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BU of 5xp1 by Molmil
Structure of monomeric mutant of REI immunoglobulin light chain variable domain crystallized at pH 6
Descriptor: Immunoglobulin kappa variable 1D-33
Authors:Mine, S, Nakamura, T, Uegaki, K, Hamada, D.
Deposit date:2017-05-31
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Heat-induced native dimerization prevents amyloid formation by variable domain from immunoglobulin light-chain REI
FEBS J., 284, 2017
8CQY
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BU of 8cqy by Molmil
Crystal structure of the PTPN3 PDZ domain bound to the PBM TACE C-terminal peptide
Descriptor: Disintegrin and metalloproteinase domain-containing protein 17, SODIUM ION, Tyrosine-protein phosphatase non-receptor type 3
Authors:Genera, M, Colcombet-Cazenave, B, Croitoru, A, Raynal, B, Mechaly, A, Caillet, J, Haouz, A, Wolff, N, Caillet-Saguy, C.
Deposit date:2023-03-07
Release date:2023-05-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Interactions of the protein tyrosine phosphatase PTPN3 with viral and cellular partners through its PDZ domain: insights into structural determinants and phosphatase activity.
Front Mol Biosci, 10, 2023
6FK2
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BU of 6fk2 by Molmil
Galectin-3 carbohydrate recognition domain in complex with lactitol
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-sorbitol
Authors:Doran, S.M.C, Faba Rodriguez, R, Hemmings, A.M.
Deposit date:2018-01-23
Release date:2019-02-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Ligand specificity at the D-site of human Galectin-3 Carbohydrate Recognition Domain
To be published
8CBS
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BU of 8cbs by Molmil
HIV-1 Integrase Catalytic Core Domain and C-Terminal Domain in Complex with Allosteric Integrase Inhibitor MUT871
Descriptor: (2~{S})-2-[3-cyclopropyl-6-methyl-2-(5-methyl-3,4-dihydro-2~{H}-chromen-6-yl)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Singer, M.R, Pye, V.E, Yu, Z, Cherepanov, P.
Deposit date:2023-01-25
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Biological and Structural Analyses of New Potent Allosteric Inhibitors of HIV-1 Integrase.
Antimicrob.Agents Chemother., 67, 2023
4VHB
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BU of 4vhb by Molmil
THIOCYANATE ADDUCT OF THE BACTERIAL HEMOGLOBIN FROM VITREOSCILLA SP.
Descriptor: PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE, THIOCYANATE ION
Authors:Bolognesi, M, Boffi, A, Coletta, M, Mozzarelli, A, Pesce, A, Tarricone, C, Ascenzi, P.
Deposit date:1999-03-11
Release date:1999-08-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Anticooperative ligand binding properties of recombinant ferric Vitreoscilla homodimeric hemoglobin: a thermodynamic, kinetic and X-ray crystallographic study.
J.Mol.Biol., 291, 1999
5XL9
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BU of 5xl9 by Molmil
The structure of hemagglutinin G228S mutant from an avian-origin H4N6 influenza virus in complex with avian receptor analog LSTa
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid
Authors:Song, H, Qi, J, Gao, F.G.
Deposit date:2017-05-10
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Avian-to-Human Receptor-Binding Adaptation by Influenza A Virus Hemagglutinin H4
Cell Rep, 20, 2017
8C3C
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BU of 8c3c by Molmil
14-3-3 sigma with Pin1 binding site pS72 and bound Fusicoccin A
Descriptor: 14-3-3 protein sigma, FUSICOCCIN, MAGNESIUM ION, ...
Authors:Verhoef, C.J, Cossar, P.
Deposit date:2022-12-23
Release date:2023-06-14
Last modified:2023-07-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Tracking the mechanism of covalent molecular glue stabilization using native mass spectrometry.
Chem Sci, 14, 2023
4VUB
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BU of 4vub by Molmil
CCDB, A TOPOISOMERASE POISON FROM ESCHERICHIA COLI
Descriptor: CCDB, CHLORIDE ION
Authors:Loris, R, Dao-Thi, M.-H, Bahasi, E.M, Van Melderen, L, Poortmans, F, Liddington, R, Couturier, M, Wyns, L.
Deposit date:1998-04-17
Release date:1998-10-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of CcdB, a topoisomerase poison from E. coli.
J.Mol.Biol., 285, 1999
8CRI
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BU of 8cri by Molmil
Crystal structure of LplA1 in complex with lipoic acid (Listeria monocytogenes)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, LIPOIC ACID, ...
Authors:Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A.
Deposit date:2023-03-08
Release date:2023-06-07
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
4W1R
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BU of 4w1r by Molmil
KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 9.24 MGy TEMP 150K
Descriptor: DIETHYL HYDROGEN PHOSPHATE, E3
Authors:Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G.
Deposit date:2014-08-14
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
8CJF
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BU of 8cjf by Molmil
AetF, a single-component flavin-dependent tryptophan halogenase, in complex with 5-bromo-L-tryptophan
Descriptor: 5-bromo-L-tryptophan, AetF, CHLORIDE ION, ...
Authors:Gafe, S, Niemann, H.H.
Deposit date:2023-02-13
Release date:2023-06-14
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis of regioselective tryptophan dibromination by the single-component flavin-dependent halogenase AetF.
Acta Crystallogr D Struct Biol, 79, 2023
5XRJ
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BU of 5xrj by Molmil
Galectin-10/Charcot-Leyden crystal protein variant H53A crystal structure
Descriptor: Galectin-10
Authors:Su, J.
Deposit date:2017-06-08
Release date:2018-01-24
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Galectin-10: a new structural type of prototype galectin dimer and effects on saccharide ligand binding.
Glycobiology, 28, 2018
4W1T
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BU of 4w1t by Molmil
Structure of the Ssl1 laccase mutant H99Y with depleted type-2 copper ion
Descriptor: COPPER (II) ION, Copper oxidase, GLYCEROL
Authors:Gunne, M, Hoeppner, A, Jaeger, V.D, Urlacher, V.B.
Deposit date:2014-08-14
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of the Ssl1 laccase mutant H99Y with depleted type-2 copper ion
To Be Published
8C2O
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BU of 8c2o by Molmil
Structure of E. coli AmiA
Descriptor: N-acetylmuramoyl-L-alanine amidase AmiA, ZINC ION
Authors:Baverstock, T.C, Crow, A.
Deposit date:2022-12-22
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Activator-induced conformational changes regulate division-associated peptidoglycan amidases.
Proc.Natl.Acad.Sci.USA, 120, 2023
5XRR
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BU of 5xrr by Molmil
Crystal structure of FUS (54-59) SYSSYG
Descriptor: RNA-binding protein FUS, ZINC ION
Authors:Zhao, M, Gui, X, Li, D, Liu, C.
Deposit date:2017-06-09
Release date:2018-04-04
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.503 Å)
Cite:Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation.
Nat. Struct. Mol. Biol., 25, 2018
8CAV
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BU of 8cav by Molmil
Discovery of the lanthipeptide Curvocidin and structural insights into its trifunctional synthetase CuvL
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CuvA, MAGNESIUM ION, ...
Authors:Sigurdsson, A, Martins, B.M, Duettmann, S.A, Jasyk, M, Dimos-Roehl, B, Schoepf, F, Gemannter, M, Knittel, C.H, Schnegotyzki, R, Schmid, B, Kosol, S, Gonzalez-Viegas, M, Seidel, M, Huegelland, M, Leimkuehler, S, Dobbek, H, Mainz, A, Suessmuth, R.
Deposit date:2023-01-24
Release date:2023-06-14
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Discovery of the Lanthipeptide Curvocidin and Structural Insights into its Trifunctional Synthetase CuvL.
Angew.Chem.Int.Ed.Engl., 62, 2023
8C0J
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BU of 8c0j by Molmil
Structure of AmiB enzymatic domain bound to the EnvC LytM domain
Descriptor: Murein hydrolase activator EnvC, N-acetylmuramoyl-L-alanine amidase, PHOSPHATE ION, ...
Authors:Crow, A.
Deposit date:2022-12-17
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (3.381 Å)
Cite:Activator-induced conformational changes regulate division-associated peptidoglycan amidases.
Proc.Natl.Acad.Sci.USA, 120, 2023
8BZX
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BU of 8bzx by Molmil
1-deoxy-D-xylulose 5-phosphate synthase from Klebsiella pneumoniae (kpDXPS),co-crystal with thiamine monophosphate analog
Descriptor: 1-deoxy-D-xylulose-5-phosphate synthase, 2-[4-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-3-methyl-5-propanoyl-thiophen-2-yl]ethyl dihydrogen phosphate, MAGNESIUM ION
Authors:Hamid, R.
Deposit date:2022-12-15
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design of thiamine analogues for inhibition of thiamine diphosphate (ThDP)-dependent enzymes: Systematic investigation through Scaffold-Hopping and C2-Functionalisation.
Bioorg.Chem., 138, 2023
8CJD
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BU of 8cjd by Molmil
AetF, a single-component flavin-dependent tryptophan halogenase
Descriptor: 1,2-ETHANEDIOL, AetF, CALCIUM ION, ...
Authors:Gafe, S, Niemann, H.H.
Deposit date:2023-02-13
Release date:2023-06-14
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis of regioselective tryptophan dibromination by the single-component flavin-dependent halogenase AetF.
Acta Crystallogr D Struct Biol, 79, 2023

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