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7LID
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BU of 7lid by Molmil
The structure of the insect olfactory receptor OR5 from Machilis hrabei in complex with eugenol
Descriptor: 2-methoxy-4-(prop-2-en-1-yl)phenol, MhOR5
Authors:del Marmol, J, Ruta, V.
Deposit date:2021-01-27
Release date:2021-08-11
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The structural basis of odorant recognition in insect olfactory receptors.
Nature, 597, 2021
7QZ9
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BU of 7qz9 by Molmil
Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5,6-difluoroTrp
Descriptor: Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H.
Deposit date:2022-01-30
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
4WD9
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BU of 4wd9 by Molmil
Crystal structure of tRNA-dependent lantibiotic dehydratase NisB in complex with NisA leader peptide
Descriptor: Nisin biosynthesis protein NisB
Authors:Hao, Y, Nair, S.K.
Deposit date:2014-09-08
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure and mechanism of the tRNA-dependent lantibiotic dehydratase NisB.
Nature, 517, 2015
7LGQ
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BU of 7lgq by Molmil
Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ATP and 8x(Asp-Arg)-Asn
Descriptor: 8x(Asp-Arg)-Asn, ADENOSINE-5'-TRIPHOSPHATE, Cyanophycin synthase, ...
Authors:Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M.
Deposit date:2021-01-20
Release date:2021-08-18
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structures and function of the amino acid polymerase cyanophycin synthetase.
Nat.Chem.Biol., 17, 2021
1MN1
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BU of 1mn1 by Molmil
MANGANESE PEROXIDASE SUBSTRATE BINDING SITE MUTANT D179N
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MANGANESE PEROXIDASE, ...
Authors:Sundaramoorthy, M, Poulos, T.L.
Deposit date:1997-04-26
Release date:1997-09-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of substrate binding site mutants of manganese peroxidase.
J.Biol.Chem., 272, 1997
4URP
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BU of 4urp by Molmil
The Crystal structure of Nitroreductase from Saccharomyces cerevisiae
Descriptor: FATTY ACID REPRESSION MUTANT PROTEIN 2
Authors:Song, H.-N, Woo, E.-J, Bang, S.-Y, Jung, D.-G, Park, S.-G.
Deposit date:2014-07-01
Release date:2015-04-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.991 Å)
Cite:Crystal Structure of the Fungal Nitroreductase Frm2 from Saccharomyces Cerevisiae.
Protein Sci., 24, 2015
7LHI
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BU of 7lhi by Molmil
Cryo-EM structure of E. coli P pilus tip assembly intermediate PapC-PapD-PapK-PapF-PapG
Descriptor: Chaperone protein PapD, Fimbrial adapter PapK, Fimbrial protein, ...
Authors:Du, M, Yuan, Z, Werneburg, G, Henderson, N, Chauhan, H, Kovach, A, Zhao, G, Johl, J, Li, H, Thanassi, D.
Deposit date:2021-01-23
Release date:2021-08-11
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (7.6 Å)
Cite:Processive dynamics of the usher assembly platform during uropathogenic Escherichia coli P pilus biogenesis.
Nat Commun, 12, 2021
4V05
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BU of 4v05 by Molmil
FGFR1 in complex with AZD4547.
Descriptor: 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1 (FMS-RELATED TYROSINE KINASE 2, PFEIFFER SYNDROME), ...
Authors:Tucker, J, Klein, T, Breed, J, Breeze, A, Overman, R, Phillips, C, Norman, R.A.
Deposit date:2014-09-10
Release date:2014-12-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Structural Insights Into Fgfr Kinase Isoform Selectivity: Diverse Binding Modes of Azd4547 and Ponatinib in Complex with Fgfr1 and Fgfr4
Structure, 22, 2014
7LGJ
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BU of 7lgj by Molmil
Cyanophycin synthetase 1 from Synechocystis sp. UTEX2470 with ADPCP and 8x(Asp-Arg)-NH2
Descriptor: 8x(Asp-Arg)-NH2, Cyanophycin synthase, MAGNESIUM ION, ...
Authors:Sharon, I, Grogg, M, Hilvert, D, Schmeing, T.M.
Deposit date:2021-01-20
Release date:2021-08-18
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structures and function of the amino acid polymerase cyanophycin synthetase.
Nat.Chem.Biol., 17, 2021
7QHZ
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BU of 7qhz by Molmil
Crystal structure of KLK6 in complex with compound DKFZ917
Descriptor: (5~{R})-3-(4-carbamimidoylphenyl)-~{N}-[(1~{S})-1-naphthalen-1-ylpropyl]-2-oxidanylidene-1,3-oxazolidine-5-carboxamide, GLYCEROL, Kallikrein-6
Authors:Jagtap, P.K.A, Baumann, A, Lohbeck, J, Isak, D, Miller, A, Hennig, J.
Deposit date:2021-12-14
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Scalable synthesis and structural characterization of reversible KLK6 inhibitors.
Rsc Adv, 12, 2022
7LCC
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BU of 7lcc by Molmil
Helitron transposase bound to LTS
Descriptor: Helraiser K1068Q, LTS, ZINC ION
Authors:Kosek, D, Dyda, F.
Deposit date:2021-01-10
Release date:2021-08-25
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:The large bat Helitron DNA transposase forms a compact monomeric assembly that buries and protects its covalently bound 5'-transposon end.
Mol.Cell, 81, 2021
2FW3
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BU of 2fw3 by Molmil
Crystal structure of rat carnitine palmitoyltransferase 2 in complex with antidiabetic drug ST1326
Descriptor: (3R)-3-{[(TETRADECYLAMINO)CARBONYL]AMINO}-4-(TRIMETHYLAMMONIO)BUTANOATE, Carnitine O-palmitoyltransferase II, mitochondrial
Authors:Rufer, A.C, Thoma, R, Benz, J, Stihle, M, Gsell, B, De Roo, E, Banner, D.W, Mueller, F, Chomienne, O, Hennig, M.
Deposit date:2006-02-01
Release date:2007-02-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of carnitine palmitoyltransferase 2 and implications for diabetes treatment
Structure, 14, 2006
4O4P
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BU of 4o4p by Molmil
Structure of P450 BM3 A82F F87V in complex with S-omeprazol
Descriptor: 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Leys, D.
Deposit date:2013-12-19
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Human P450-like oxidation of diverse proton pump inhibitor drugs by 'gatekeeper' mutants of flavocytochrome P450 BM3.
Biochem.J., 460, 2014
7QZ5
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BU of 7qz5 by Molmil
Transcriptional regulator LmrR with Trp-67 and Trp-96 replaced by the unnatural amino acid 5-fluoroTrp
Descriptor: Transcriptional regulator, PadR-like family
Authors:Thunnissen, A.M.W.H.
Deposit date:2022-01-30
Release date:2022-11-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Role of Tryptophan in pi Interactions in Proteins: An Experimental Approach.
J.Am.Chem.Soc., 144, 2022
7QBW
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BU of 7qbw by Molmil
Human Cyclophilin A double mutant C52AK125C
Descriptor: GLYCEROL, Peptidyl-prolyl cis-trans isomerase A
Authors:Fischer, L, Buratto, J, Langlois d'Estaintot, B.
Deposit date:2021-11-19
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Human Cyclophilin A double mutant C52AK125C
To Be Published
7LIB
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BU of 7lib by Molmil
X-ray crystal structure of a cyclic peptide containing beta-2-microglobulin (63-69) and a gamma-methylornithine turn unit
Descriptor: Cyclic peptide ORD-TYR-LEU-LEU-PHI-TYR-THR-GLU-GMO-LYS-VAL-THR-MVA-THR-VAL-LYS
Authors:Wierzbicki, M, Nowick, J.S, Li, X.
Deposit date:2021-01-26
Release date:2021-08-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:An Improved Turn Structure for Inducing beta-Hairpin Formation in Peptides.
Angew.Chem.Int.Ed.Engl., 60, 2021
7Q9W
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BU of 7q9w by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 4-(aminomethyl)pyridin-2-amine
Descriptor: 4-(aminomethyl)pyridin-2-amine, Cholinephosphate cytidylyltransferase, Guanidinium
Authors:Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
Deposit date:2021-11-15
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
7QA7
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BU of 7qa7 by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with Cyclopropanemethylamine
Descriptor: Cholinephosphate cytidylyltransferase, cyclopropylmethanamine
Authors:Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
Deposit date:2021-11-16
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7Q9V
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BU of 7q9v by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1-(1,3-oxazol-4-yl)methanamine
Descriptor: 1,3-oxazol-4-ylmethanamine, Cholinephosphate cytidylyltransferase, Guanidinium
Authors:Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
Deposit date:2021-11-15
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published
7LAS
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BU of 7las by Molmil
Cryo-EM structure of PCV2 Replicase bound to ssDNA
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent helicase Rep, DNA (5'-D(P*GP*AP*TP*CP*GP*AP*TP*CP*GP*A)-3'), ...
Authors:Khayat, R.
Deposit date:2021-01-06
Release date:2021-08-25
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Mechanism of DNA Interaction and Translocation by the Replicase of a Circular Rep-Encoding Single-Stranded DNA Virus.
Mbio, 12, 2021
7Q72
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BU of 7q72 by Molmil
Structure of Pla1 in complex with Red1
Descriptor: NURS complex subunit red1, Poly(A) polymerase pla1
Authors:Soni, K, Wild, K, Sinning, I.
Deposit date:2021-11-09
Release date:2022-12-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanistic insights into RNA surveillance by the canonical poly(A) polymerase Pla1 of the MTREC complex.
Nat Commun, 14, 2023
3GN0
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BU of 3gn0 by Molmil
Crystal structure of human arginase I in complex with difluoromethylornithine (DFMO)
Descriptor: ALPHA-DIFLUOROMETHYLORNITHINE, Arginase-1, MANGANESE (II) ION
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2009-03-15
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding of alpha,alpha-Disubstituted Amino Acids to Arginase Suggests New Avenues for Inhibitor Design
J.Med.Chem., 54, 2011
7QAD
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BU of 7qad by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with 1,4-Oxazepane hydrochloride
Descriptor: 1,4-oxazepane, Cholinephosphate cytidylyltransferase, Guanidinium
Authors:Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
Deposit date:2021-11-16
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors.
To Be Published
4NZN
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BU of 4nzn by Molmil
Crystal structure of the catalytic domain of PPIP5K2 in complex with AMPPNP and 2-O-BN-5-PA-INSP4
Descriptor: (2-{[(1s,2R,3R,4r,5S,6S)-4-(benzyloxy)-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl]oxy}-2-oxoethyl)phosphonic acid, Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2, MAGNESIUM ION, ...
Authors:Wang, H, Shears, S.B.
Deposit date:2013-12-12
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Synthetic Inositol Phosphate Analogs Reveal that PPIP5K2 Has a Surface-Mounted Substrate Capture Site that Is a Target for Drug Discovery.
Chem.Biol., 21, 2014
7QD3
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BU of 7qd3 by Molmil
Crystal structure of the C-terminal catalytic domain of Plasmodium falciparum CTP:phosphocholine cytidylyltransferase with morpholine
Descriptor: Cholinephosphate cytidylyltransferase, morpholine
Authors:Duclovel, C, Gelin, M, Krimm, I, Cerdan, R, Guichou, J.-F.
Deposit date:2021-11-26
Release date:2022-12-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design of PfCCT inhibitors
To Be Published

222415

数据于2024-07-10公开中

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