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7CHD
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BU of 7chd by Molmil
AtaT complexed with acetyl-methionyl-tRNAfMet
Descriptor: N-acetyltransferase domain-containing protein, RNA (77-MER)
Authors:Yashiro, Y, Tomita, K.
Deposit date:2020-07-05
Release date:2020-11-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.804 Å)
Cite:Mechanism of aminoacyl-tRNA acetylation by an aminoacyl-tRNA acetyltransferase AtaT from enterohemorrhagic E. coli.
Nat Commun, 11, 2020
7CJQ
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BU of 7cjq by Molmil
Structure of DLA-88*001:04
Descriptor: ARG-THR-ILE-SER-TYR-THR-TYR-PRO-PHE, Beta-2-microglobulin, MHC class I DLA-88
Authors:Sun, Y.J, Ma, L.Z, Li, S.
Deposit date:2020-07-12
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of canine MHC class I at 2.7 Angstroms resolution
To Be Published
7CT4
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BU of 7ct4 by Molmil
Crystal structure of D-amino acid oxidase from Rasamsonia emersonii strain YA
Descriptor: D-amino acid oxidase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Shimekake, Y, Hirato, Y, Okazaki, S, Funabashi, R, Goto, M, Furuichi, T, Suzuki, H, Takahashi, S.
Deposit date:2020-08-18
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray structure analysis of a unique D-amino-acid oxidase from the thermophilic fungus Rasamsonia emersonii strain YA.
Acta Crystallogr.,Sect.F, 76, 2020
4K94
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BU of 4k94 by Molmil
Crystal structure of KIT D4D5 fragment in complex with anti-Kit antibody Fab19
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab19 heavy chain, Fab19 light chain, ...
Authors:Resheynyak, A.V, Boggon, T.J, Lax, I, Schlessinger, J.
Deposit date:2013-04-19
Release date:2013-10-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for KIT receptor tyrosine kinase inhibition by antibodies targeting the D4 membrane-proximal region.
Proc.Natl.Acad.Sci.USA, 110, 2013
6WYA
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BU of 6wya by Molmil
RTX (Reverse Transcription Xenopolymerase) in complex with a DNA duplex and dAMPNPP
Descriptor: 1,2-ETHANEDIOL, 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
Authors:Choi, W.S, He, P, Pothukuchy, A, Gollihar, J, Ellington, A.D, Yang, W.
Deposit date:2020-05-12
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:How a B family DNA polymerase has been evolved to copy RNA.
Proc.Natl.Acad.Sci.USA, 117, 2020
4K0S
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BU of 4k0s by Molmil
Structure of HCAIX mimic (HCAII with 5 mutations in active site) in complex with acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, Carbonic anhydrase 2, ZINC ION
Authors:Biswas, S, McKenna, R.
Deposit date:2013-04-04
Release date:2014-04-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Developing isoform specific inhibitors against hCAIX using CAIX mimic
To be Published
4K9G
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BU of 4k9g by Molmil
1.55 A Crystal Structure of Macrophage Migration Inhibitory Factor bound to ISO-66 and a related compound
Descriptor: (4R,6Z)-6-(3-fluoro-4-hydroxyphenyl)-4-hydroxy-6-iminohexan-2-one, 1-[(5S)-3-(3-fluoro-4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]propan-2-one, CHLORIDE ION, ...
Authors:Crichlow, G.V, Al-Abed, Y, Lolis, E.J.
Deposit date:2013-04-19
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:ISO-66, a novel inhibitor of macrophage migration, shows efficacy in melanoma and colon cancer models.
INT J ONCOL., 45, 2014
4K27
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BU of 4k27 by Molmil
Myotonic Dystrophy Type 2 RNA: Structural Studies and Designed Small Molecules that Modulate RNA Function
Descriptor: CHLORIDE ION, MAGNESIUM ION, Myotonic Dystrophy Type 2 RNA
Authors:Park, H, Lohman, J, Disney, M.D.
Deposit date:2013-04-08
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Myotonic Dystrophy Type 2 RNA: Structural Studies and Designed Small Molecules that Modulate RNA Function
ACS CHEM.BIOL., 2013
6WYF
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BU of 6wyf by Molmil
Crystal structure of Human H-chain Ferritin variant 157C Delta C-star Modified with a RAFT Agent Soaked in an Acrylate Solution
Descriptor: CALCIUM ION, FE (III) ION, Ferritin heavy chain, ...
Authors:Bailey, J.B, Zhang, L.
Deposit date:2020-05-12
Release date:2020-11-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Anisotropic Dynamics and Mechanics of Macromolecular Crystals Containing Lattice-Patterned Polymer Networks.
J.Am.Chem.Soc., 142, 2020
4KB9
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BU of 4kb9 by Molmil
Crystal structure of wild-type HIV-1 protease with novel tricyclic P2-ligands GRL-0739A
Descriptor: (3aR,3bR,4S,7aR,8aS)-decahydrofuro[2,3-b][1]benzofuran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2013-04-23
Release date:2013-09-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Highly Potent HIV-1 Protease Inhibitors with Novel Tricyclic P2 Ligands: Design, Synthesis, and Protein-Ligand X-ray Studies.
J.Med.Chem., 56, 2013
6DIG
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BU of 6dig by Molmil
Crystal structure of DQA1*01:02/DQB1*06:02 in complex with a hypocretin peptide
Descriptor: 13-mer peptide: ALA-GLY-ASN-HIS-ALA-ALA-GLY-ILE-LEU-THR-LEU-GLY-LYS, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Birtley, J.R, Stern, L.J, Mellins, E.D, Jiang, W.
Deposit date:2018-05-23
Release date:2019-05-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:In vivo clonal expansion and phenotypes of hypocretin-specific CD4+T cells in narcolepsy patients and controls.
Nat Commun, 10, 2019
4K4D
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BU of 4k4d by Molmil
X-ray crystal structure of E. coli YbdB complexed with 2,4-dihydroxyphenacyl-CoA
Descriptor: 2,4-dihydroxyphenacyl coenzyme A, ACETATE ION, MALONATE ION, ...
Authors:Ru, W, Farelli, J.D, Dunaway-Mariano, D, Allen, K.N.
Deposit date:2013-04-12
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structure and Catalysis in the Escherichia coli Hotdog-fold Thioesterase Paralogs YdiI and YbdB.
Biochemistry, 53, 2014
4K5D
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BU of 4k5d by Molmil
Structure of neuronal nitric oxide synthase heme domain in complex with (S)-1,2-bis((2-amino-4-methylpyridin-6-yl)-methoxy)-propan-3-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-{[(2S)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine), ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2013-04-14
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.096 Å)
Cite:Chiral linkers to improve selectivity of double-headed neuronal nitric oxide synthase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
7CHF
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BU of 7chf by Molmil
Crystal structure of the SARS-CoV-2 RBD in complex with BD-604 Fab and BD-368-2 Fab
Descriptor: BD-368-2 Fab heavy chain, BD-368-2 Fab light chain, BD-604 Fab heavy chain, ...
Authors:Xiao, J, Zhu, Q.
Deposit date:2020-07-05
Release date:2020-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.674 Å)
Cite:Structurally Resolved SARS-CoV-2 Antibody Shows High Efficacy in Severely Infected Hamsters and Provides a Potent Cocktail Pairing Strategy.
Cell, 183, 2020
4K5Y
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BU of 4k5y by Molmil
Crystal structure of human corticotropin-releasing factor receptor 1 (CRF1R) in complex with the antagonist CP-376395
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 3,6-dimethyl-N-(pentan-3-yl)-2-(2,4,6-trimethylphenoxy)pyridin-4-amine, ...
Authors:Hollenstein, K, Kean, J, Bortolato, A, Cheng, R.K.Y, Dore, A.S, Jazayeri, A, Cooke, R.M, Weir, M, Marshall, F.H.
Deposit date:2013-04-15
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.977 Å)
Cite:Structure of class B GPCR corticotropin-releasing factor receptor 1.
Nature, 499, 2013
4KIA
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BU of 4kia by Molmil
Crystal structure of LmHde, heme-degrading enzyme, from Listeria monocytogenes
Descriptor: Lmo2213 protein
Authors:Kim, K.K, Duong, T, Kim, T.
Deposit date:2013-05-02
Release date:2014-03-12
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural and functional characterization of an Isd-type haem-degradation enzyme from Listeria monocytogenes.
Acta Crystallogr.,Sect.D, 70, 2014
4KIC
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BU of 4kic by Molmil
Crystal structure of methyltransferase from Streptomyces hygroscopicus complexed with S-adenosyl-L-methionine and phenylpyruvic acid
Descriptor: (2R)-2-hydroxy-3-phenylpropanoic acid, 3-PHENYLPYRUVIC ACID, CALCIUM ION, ...
Authors:Liu, Y.C, Zou, X.W, Chan, H.C, Huang, C.J, Li, T.L.
Deposit date:2013-05-02
Release date:2014-05-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure and mechanism of a nonhaem-iron SAM-dependent C-methyltransferase and its engineering to a hydratase and an O-methyltransferase
Acta Crystallogr.,Sect.D, 70, 2014
4K6B
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BU of 4k6b by Molmil
Atomic structure of bacteriophage HS1 tail needle knob
Descriptor: GLUTAMIC ACID, HS1 knob domain, PHOSPHATE ION
Authors:Bhardwaj, A, Cingolani, G.
Deposit date:2013-04-15
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:The tip of the tail needle affects the rate of DNA delivery by bacteriophage p22.
Plos One, 8, 2013
7CMH
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BU of 7cmh by Molmil
The LAT2-4F2hc complex in complex with tryptophan
Descriptor: 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4F2 cell-surface antigen heavy chain, ...
Authors:Yan, R.H, Zhou, J.Y, Li, Y.N, Lei, J.L, Zhou, Q.
Deposit date:2020-07-27
Release date:2020-12-23
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural insight into the substrate recognition and transport mechanism of the human LAT2-4F2hc complex.
Cell Discov, 6, 2020
7CD6
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BU of 7cd6 by Molmil
mAPE1-recessed dsDNA product complex
Descriptor: DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*AP*C)-3'), DNA-(apurinic or apyrimidinic site) endonuclease
Authors:Liu, T.C, Hsiao, Y.Y.
Deposit date:2020-06-18
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:APE1 distinguishes DNA substrates in exonucleolytic cleavage by induced space-filling.
Nat Commun, 12, 2021
4K8X
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BU of 4k8x by Molmil
Binary complex of 9N DNA polymerase in the replicative state
Descriptor: 1,2-ETHANEDIOL, 1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3H-indolium, CHLORIDE ION, ...
Authors:Betz, K, Diederichs, K, Marx, A.
Deposit date:2013-04-19
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structures of KOD and 9N DNA Polymerases Complexed with Primer Template Duplex
Chembiochem, 14, 2013
6WMI
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BU of 6wmi by Molmil
ZNF410 zinc fingers 1-5 with 17 mer blunt DNA Oligonucleotide
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*CP*AP*CP*AP*TP*CP*CP*CP*AP*TP*AP*AP*TP*AP*AP*TP*G)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*TP*TP*AP*TP*GP*GP*GP*AP*TP*GP*TP*G)-3'), ...
Authors:Ren, R, Horton, J.R, Cheng, X.
Deposit date:2020-04-21
Release date:2020-12-09
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:ZNF410 Uniquely Activates the NuRD Component CHD4 to Silence Fetal Hemoglobin Expression.
Mol.Cell, 81, 2021
4KO2
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BU of 4ko2 by Molmil
Low X-ray dose structure of H2-activated anaerobically purified Dm. baculatum [NiFeSe]-hydrogenase after crystallization under air
Descriptor: CALCIUM ION, CARBONMONOXIDE-(DICYANO) IRON, GLYCEROL, ...
Authors:Volbeda, A, Cavazza, C, Fontecilla-Camps, J.C.
Deposit date:2013-05-11
Release date:2013-07-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural foundations for the O2 resistance of Desulfomicrobium baculatum [NiFeSe]-hydrogenase.
Chem. Commun. (Camb.), 49, 2013
6WRR
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BU of 6wrr by Molmil
CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 1-PHOSPHATASE INPP1 IN COMPLEX GADOLINIUM AND LITHIUM AT 2.5 ANGSTROM RESOLUTION
Descriptor: GADOLINIUM ATOM, Inositol polyphosphate 1-phosphatase, SULFATE ION
Authors:Dollins, D.R, Endo-Streeter, S, York, J.D.
Deposit date:2020-04-30
Release date:2020-11-18
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A structural basis for lithium and substrate binding of an inositide phosphatase.
J.Biol.Chem., 296, 2020
4KBO
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BU of 4kbo by Molmil
Crystal structure of the human Mortalin (GRP75) ATPase domain in the apo form
Descriptor: SODIUM ION, Stress-70 protein, mitochondrial
Authors:Amick, J, Page, R.C, Nix, J.C, Misra, S.
Deposit date:2013-04-23
Release date:2014-04-02
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the nucleotide-binding domain of mortalin, the mitochondrial Hsp70 chaperone.
Protein Sci., 23, 2014

223790

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