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4WK8
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BU of 4wk8 by Molmil
FOXP3 forms a domain-swapped dimer to bridge DNA
Descriptor: DNA (5'-D(*AP*AP*CP*TP*AP*TP*GP*AP*AP*AP*CP*AP*AP*AP*TP*TP*TP*TP*CP*CP*T)-3'), DNA (5'-D(*TP*TP*AP*GP*GP*AP*AP*AP*AP*TP*TP*TP*GP*TP*TP*TP*CP*AP*TP*AP*G)-3'), Forkhead box protein P3
Authors:Chen, Y, Chen, L.
Deposit date:2014-10-01
Release date:2015-01-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.4006 Å)
Cite:DNA binding by FOXP3 domain-swapped dimer suggests mechanisms of long-range chromosomal interactions.
Nucleic Acids Res., 43, 2015
4YRC
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BU of 4yrc by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 2-aminoquinolin-8-ol (Chem 89)
Descriptor: 1,2-ETHANEDIOL, 2-aminoquinolin-8-ol, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YRM
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BU of 4yrm by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 3-methoxypyridine (Chem 443)
Descriptor: 1,2-ETHANEDIOL, 3-methoxypyridine, GLYCEROL, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4YP0
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BU of 4yp0 by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 5-aminoisoquinoline (Chem 79)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-12
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
8Q85
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BU of 8q85 by Molmil
Outer kinetochore Dam1 protomer monomer Ndc80-Nuf2 coiled-coil complex
Descriptor: DASH complex subunit ASK1, DASH complex subunit DAD1, DASH complex subunit DAD2, ...
Authors:Muir, K.W, Barford, D.
Deposit date:2023-08-17
Release date:2023-12-06
Last modified:2023-12-20
Method:ELECTRON MICROSCOPY (3.97 Å)
Cite:Structural mechanism of outer kinetochore Dam1-Ndc80 complex assembly on microtubules.
Science, 382, 2023
4YRE
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BU of 4yre by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with (2-bromophenyl)methanol (Chem 145)
Descriptor: (2-bromophenyl)methanol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
8II0
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BU of 8ii0 by Molmil
FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(3-(3-chlorophenyl)isoxazol-5-yl)-3-hydroxypicolinoyl)glycine
Descriptor: 2-[[5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J.
Deposit date:2023-02-24
Release date:2024-02-28
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 2024
8IHZ
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BU of 8ihz by Molmil
FACTOR INHIBITING HIF-1 ALPHA in complex with (5-(1-(3-(4-chlorophenyl)propyl)-1H-1,2,3-triazol-4-yl)-3-hydroxypicolinoyl)glycine
Descriptor: 2-[[5-[1-[3-(4-chlorophenyl)propyl]-1,2,3-triazol-4-yl]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid, Hypoxia-inducible factor 1-alpha inhibitor, SULFATE ION, ...
Authors:Nakashima, Y, Corner, T, Zhang, X, Schofield, C.J.
Deposit date:2023-02-24
Release date:2024-02-28
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:A Small-Molecule Inhibitor of Factor Inhibiting HIF Binding to a Tyrosine-flip Pocket for the Treatment of Obesity.
Angew.Chem.Int.Ed.Engl., 2024
5I9N
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BU of 5i9n by Molmil
Crystal structure of B. pseudomallei FabI in complex with NAD and PT412
Descriptor: 5-ethyl-4-fluoro-2-(2-nitrophenoxy)phenol, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
Deposit date:2016-02-20
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.512 Å)
Cite:Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
8PPR
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BU of 8ppr by Molmil
Structure of the human outer kinetochore KMN network complex
Descriptor: Kinetochore protein Spc24, Kinetochore protein Spc25, Kinetochore scaffold 1, ...
Authors:Yatskevich, S, Barford, D.
Deposit date:2023-07-08
Release date:2024-03-20
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the human outer kinetochore KMN network complex.
Nat.Struct.Mol.Biol., 31, 2024
4RUL
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BU of 4rul by Molmil
Crystal structure of full-length E.Coli topoisomerase I in complex with ssDNA
Descriptor: DNA topoisomerase 1, GLYCEROL, SULFATE ION, ...
Authors:Tan, K, Chen, B, Tse-Dinh, Y.C.
Deposit date:2014-11-20
Release date:2015-11-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for suppression of hypernegative DNA supercoiling by E. coli topoisomerase I.
Nucleic Acids Res., 43, 2015
7THK
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BU of 7thk by Molmil
Cryo-EM structure of prefusion SARS-CoV-2 spike omicron B.1.1.529 variant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Cerutti, G, Shapiro, L.
Deposit date:2022-01-11
Release date:2022-03-02
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Cryo-EM structure of the SARS-CoV-2 Omicron spike.
Cell Rep, 38, 2022
5I7E
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BU of 5i7e by Molmil
Crystal structure of B. pseudomallei FabI in apo form
Descriptor: Enoyl-[acyl-carrier-protein] reductase [NADH]
Authors:Hirschbeck, M.W, Eltschkner, S, Tonge, P.J, Kisker, C.
Deposit date:2016-02-17
Release date:2017-02-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Rationalizing the Binding Kinetics for the Inhibition of the Burkholderia pseudomallei FabI1 Enoyl-ACP Reductase.
Biochemistry, 56, 2017
4YRI
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BU of 4yri by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with 1-(3-bromophenyl)methanamine (Chem 166)
Descriptor: 1,2-ETHANEDIOL, 1-(3-bromophenyl)methanamine, DIMETHYL SULFOXIDE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
5K0T
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BU of 5k0t by Molmil
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor Chem 1415
Descriptor: 1,2-ETHANEDIOL, 1-{3-[(3-chloro-5-methoxybenzyl)amino]propyl}-3-phenylurea, Methionine--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-05-17
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Brucella melitensis Methionyl-tRNA-Synthetase (MetRS), a Potential Drug Target for Brucellosis.
Plos One, 11, 2016
4YRR
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BU of 4yrr by Molmil
Crystal structure of T. cruzi Histidyl-tRNA synthetase in complex with N-(quinolin-3-yl)acetamide (Chem 1691)
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, HISTIDINE, ...
Authors:Koh, C.-Y, Hol, W.G.J.
Deposit date:2015-03-15
Release date:2015-08-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A binding hotspot in Trypanosoma cruzi histidyl-tRNA synthetase revealed by fragment-based crystallographic cocktail screens.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4U68
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BU of 4u68 by Molmil
Crystal structure of Rhino chromodomain in complex with H3K9me3
Descriptor: H3K9me3, Rhino
Authors:Yu, B.W, Huang, Y.
Deposit date:2014-07-28
Release date:2015-08-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into Rhino-mediated germline piRNA cluster formation
Cell Res., 25, 2015
8D73
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BU of 8d73 by Molmil
Crystal Structure of EGFR LRTM with compound 7
Descriptor: (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl)piperidin-4-ol, Epidermal growth factor receptor, GLYCEROL
Authors:Kim, J.L.
Deposit date:2022-06-07
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer.
J.Med.Chem., 65, 2022
8GVJ
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BU of 8gvj by Molmil
Crystal structure of cMET kinase domain bound by D6808
Descriptor: (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor
Authors:Chen, Y.H, Qu, L.Z.
Deposit date:2022-09-15
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
6B8O
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BU of 6b8o by Molmil
WT Ig-like V Domain with Phosphatidylserine
Descriptor: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sudom, A, Wang, Z.
Deposit date:2017-10-09
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
J. Biol. Chem., 293, 2018
8D76
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BU of 8d76 by Molmil
Crystal Structure of EGFR LRTM with compound 24
Descriptor: (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl)methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol, Epidermal growth factor receptor, GLYCEROL
Authors:Kim, J.L.
Deposit date:2022-06-07
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of BLU-945, a Reversible, Potent, and Wild-Type-Sparing Next-Generation EGFR Mutant Inhibitor for Treatment-Resistant Non-Small-Cell Lung Cancer.
J.Med.Chem., 65, 2022
5B88
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BU of 5b88 by Molmil
RRM-like domain of DEAD-box protein, CsdA
Descriptor: ATP-dependent RNA helicase DeaD
Authors:Xu, L, Peng, J, Zhang, J, Wu, J, Tang, Y, Shi, Y.
Deposit date:2016-06-13
Release date:2017-05-31
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Insights into the Structure of Dimeric RNA Helicase CsdA and Indispensable Role of Its C-Terminal Regions.
Structure, 25, 2017
8DNP
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BU of 8dnp by Molmil
Human Brain Ferritin Heavy Chain
Descriptor: FE (III) ION, Ferritin heavy chain
Authors:Tringides, M.L.
Deposit date:2022-07-11
Release date:2022-11-16
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.69 Å)
Cite:A cryo-electron microscopic approach to elucidate protein structures from human brain microsomes.
Life Sci Alliance, 6, 2023
8DNU
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BU of 8dnu by Molmil
Human Brain Glutamine Synthetase
Descriptor: Glutamine synthetase, MANGANESE (II) ION
Authors:Tringides, M.L.
Deposit date:2022-07-11
Release date:2022-11-16
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.73 Å)
Cite:A cryo-electron microscopic approach to elucidate protein structures from human brain microsomes.
Life Sci Alliance, 6, 2023
8DNO
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BU of 8dno by Molmil
Human Brain Aldehyde Dehydrogenase 1 family, member A1
Descriptor: Retinal dehydrogenase 1
Authors:Tringides, M.L.
Deposit date:2022-07-11
Release date:2022-11-16
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:A cryo-electron microscopic approach to elucidate protein structures from human brain microsomes.
Life Sci Alliance, 6, 2023

222624

數據於2024-07-17公開中

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