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6PGF
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BU of 6pgf by Molmil
WDR5delta32 bound to N-(4-(4-(hydroxymethyl)-1H-imidazol-2-yl)butyl)acrylamide
Descriptor: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}prop-2-enamide, SULFATE ION, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6RXI
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BU of 6rxi by Molmil
In-flow serial synchrotron crystallography using a 3D-printed microfluidic device (3D-MiXD): Lysozyme
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Lysozyme C, ...
Authors:Monteiro, D.C.F, von Stetten, D, Pearson, A.R, Trebbin, M.
Deposit date:2019-06-08
Release date:2020-03-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:3D-MiXD: 3D-printed X-ray-compatible microfluidic devices for rapid, low-consumption serial synchrotron crystallography data collection in flow.
Iucrj, 7, 2020
6PG3
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BU of 6pg3 by Molmil
WDR5delta23 bound to (2-butyl-1H-imidazol-4-yl)methanol
Descriptor: (2-butyl-1H-imidazol-4-yl)methanol, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
7JRP
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BU of 7jrp by Molmil
Plant Mitochondrial complex SC III2+IV from Vigna radiata
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Alpha-MPP, ...
Authors:Maldonado, M, Letts, J.A.
Deposit date:2020-08-12
Release date:2021-01-20
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Atomic structures of respiratory complex III 2 , complex IV, and supercomplex III 2 -IV from vascular plants.
Elife, 10, 2021
7K90
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BU of 7k90 by Molmil
Structure of the SARS-CoV-2 S 6P trimer in complex with the human neutralizing antibody Fab fragment, C144
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C144 Fab Heavy Chain, C144 Fab Light Chain, ...
Authors:Barnes, C.O, Esswein, S.R, Bjorkman, P.J.
Deposit date:2020-09-27
Release date:2020-10-21
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies.
Nature, 588, 2020
6PG5
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BU of 6pg5 by Molmil
WDR5delta32 bound to benzyl (4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)carbamate
Descriptor: SULFATE ION, WD repeat-containing protein 5, benzyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PGB
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BU of 6pgb by Molmil
WDR5delta32 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)-2-phenylacetamide
Descriptor: N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide, SULFATE ION, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
2RK8
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BU of 2rk8 by Molmil
The Structure of rat cytosolic PEPCK in complex with phosphonoformate
Descriptor: DI(HYDROXYETHYL)ETHER, FORMIC ACID, MANGANESE (II) ION, ...
Authors:Sullivan, S.M, Stiffin, R.M, Carlson, G.M, Holyoak, T.
Deposit date:2007-10-16
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differential Inhibition of Cytosolic PEPCK by Substrate Analogues. Kinetic and Structural Characterization of Inhibitor Recognition.
Biochemistry, 47, 2008
6V3R
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BU of 6v3r by Molmil
Crystal structure of murine cycloxygenase in complex with a harmaline analog, 4,9-dihydro-3H-pyrido[3,4-b]indole
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-[(4-chlorophenyl)methyl]-6-methoxy-1-methyl-4,9-dihydro-3H-beta-carboline, ...
Authors:Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
Deposit date:2019-11-26
Release date:2020-02-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Harmaline Analogs as Substrate-Selective Cyclooxygenase-2 Inhibitors.
Acs Med.Chem.Lett., 11, 2020
7REB
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BU of 7reb by Molmil
E. coli dihydrofolate reductase complexed with 5-(3-(7-(4-(aminomethyl)phenyl)benzo[d][1,3]dioxol-5-yl)but-1-yn-1-yl)-6-ethylpyrimidine-2,4-diamine (UCP1223)
Descriptor: 5-[(3R)-3-{7-[4-(aminomethyl)phenyl]-2H-1,3-benzodioxol-5-yl}but-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, Dihydrofolate reductase, SULFATE ION
Authors:Lombardo, M.N, Wright, D.L.
Deposit date:2021-07-12
Release date:2022-07-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
6V6T
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BU of 6v6t by Molmil
Solution structure of delta-theraphotoxin-Hm1b from Heteroscodra maculata
Descriptor: Delta-theraphotoxin-Hm1b
Authors:Chin, Y.K.Y, Chow, C.Y, King, G.F.
Deposit date:2019-12-05
Release date:2020-05-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A selective Na V 1.1 activator with potential for treatment of Dravet syndrome epilepsy.
Biochem Pharmacol, 181, 2020
7KA4
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BU of 7ka4 by Molmil
Aldolase, rabbit muscle (beam-tilt refinement x4)
Descriptor: Fructose-bisphosphate aldolase A
Authors:Kearns, S.K, Cash, J.N, Cianfrocco, M.A, Li, Y.
Deposit date:2020-09-29
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:High-resolution cryo-EM using beam-image shift at 200 keV.
Iucrj, 7, 2020
2R8Q
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BU of 2r8q by Molmil
Structure of LmjPDEB1 in complex with IBMX
Descriptor: 3-ISOBUTYL-1-METHYLXANTHINE, Class I phosphodiesterase PDEB1, MAGNESIUM ION, ...
Authors:Wang, H, Yan, Z, Geng, J, Kunz, S, Seebeck, T, Ke, H.
Deposit date:2007-09-11
Release date:2007-12-18
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the Leishmania major phosphodiesterase LmjPDEB1 and insight into the design of the parasite-selective inhibitors.
Mol.Microbiol., 66, 2007
7V8M
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BU of 7v8m by Molmil
LolCDE-apo in nanodiscs
Descriptor: Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, Lipoprotein-releasing system transmembrane protein LolE
Authors:Luo, Q.S, Bei, W.W, Shi, H.G, Zhang, X.Z, Huang, Y.H.
Deposit date:2021-08-23
Release date:2022-08-31
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structures of LolCDE reveal the molecular mechanism of bacterial lipoprotein sorting in Escherichia coli.
Plos Biol., 20, 2022
7KDP
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BU of 7kdp by Molmil
HCMV prefusion gB in complex with fusion inhibitor WAY-174865
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein B, ...
Authors:Liu, Y, Heim, P.K, Che, Y, Chi, X, Qiu, X, Han, S, Dormitzer, P.R, Yang, X.
Deposit date:2020-10-09
Release date:2021-03-17
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Prefusion structure of human cytomegalovirus glycoprotein B and structural basis for membrane fusion.
Sci Adv, 7, 2021
7KDD
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BU of 7kdd by Molmil
HCMV postfusion gB in complex with SM5-1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Envelope glycoprotein B, ...
Authors:Liu, Y, Heim, P.K, Che, Y, Chi, X, Qiu, X, Han, S, Dormitzer, P.R, Yang, X.
Deposit date:2020-10-08
Release date:2021-03-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Prefusion structure of human cytomegalovirus glycoprotein B and structural basis for membrane fusion.
Sci Adv, 7, 2021
6PG8
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BU of 6pg8 by Molmil
WDR5delta23 bound to (2-(3-phenylpropyl)-1H-imidazol-4-yl)methanol
Descriptor: CHLORIDE ION, SULFATE ION, WD repeat-containing protein 5, ...
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6P9M
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BU of 6p9m by Molmil
Crystal structure of Mycobacterium tuberculosis KasA in complex with O6J
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Capodagli, G.C, Neiditch, M.B.
Deposit date:2019-06-10
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.256 Å)
Cite:A Preclinical Candidate Targeting Mycobacterium tuberculosis KasA.
Cell Chem Biol, 27, 2020
6PG4
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BU of 6pg4 by Molmil
WDR5delta32 bound to (2-methyl-1H-imidazol-4-yl)methanol
Descriptor: (2-methyl-1H-imidazol-4-yl)methanol, SULFATE ION, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
6PG9
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BU of 6pg9 by Molmil
WDR5delta23 bound to N-(4-(5-(hydroxymethyl)-1H-imidazol-2-yl)butyl)benzamide
Descriptor: N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide, WD repeat-containing protein 5
Authors:Dennis, M.L, Peat, T.S.
Deposit date:2019-06-24
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fragment screening for a protein-protein interaction inhibitor to WDR5.
Struct Dyn., 6, 2019
7MQP
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BU of 7mqp by Molmil
E. coli dihydrofolate reductase complexed with 4'-chloro-3'-(4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl)-[1,1'-biphenyl]-4-carboxamide (UCP1228)
Descriptor: 3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-4'-methyl[1,1'-biphenyl]-4-carboxamide, Dihydrofolate reductase, SULFATE ION
Authors:Lombardo, M.N, Wright, D.L.
Deposit date:2021-05-06
Release date:2022-05-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-guided functional studies of plasmid-encoded dihydrofolate reductases reveal a common mechanism of trimethoprim resistance in Gram-negative pathogens.
Commun Biol, 5, 2022
7VDN
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BU of 7vdn by Molmil
High resolution crystal structure of Sperm Whale Myoglobin in the carbonmonoxy form
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Shibayama, N, Sato-Tomita, A, Ishimoto, N, Park, S.Y.
Deposit date:2021-09-07
Release date:2022-09-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (0.93 Å)
Cite:X-ray fluorescence holography of biological metal sites: Application to myoglobin.
Biochem.Biophys.Res.Commun., 635, 2022
7JTH
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BU of 7jth by Molmil
Cryo-EM structure of unliganded octameric prenyltransferase domain of Phomopsis amygdali fusicoccadiene synthase
Descriptor: Fusicoccadiene synthase
Authors:Faylo, J.L, van Eeuwen, T, Murakami, K, Christianson, D.W.
Deposit date:2020-08-17
Release date:2021-04-28
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural insight on assembly-line catalysis in terpene biosynthesis.
Nat Commun, 12, 2021
7V8L
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BU of 7v8l by Molmil
LolCDE with bound RcsF in nanodiscs
Descriptor: (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolC, ...
Authors:Bei, W.W, Luo, Q.S, Shi, H.G, Zhang, X.Z, Huang, Y.H.
Deposit date:2021-08-23
Release date:2022-09-21
Last modified:2023-10-04
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structures of LolCDE reveal the molecular mechanism of bacterial lipoprotein sorting in Escherichia coli.
Plos Biol., 20, 2022
6VCB
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BU of 6vcb by Molmil
Cryo-EM structure of the Glucagon-like peptide-1 receptor in complex with G protein, GLP-1 peptide and a positive allosteric modulator
Descriptor: 1-[(1R)-1-(2,6-dichloro-3-methoxyphenyl)ethyl]-6-{2-[(2R)-piperidin-2-yl]phenyl}-1H-benzimidazole, Glucagon-like peptide 1, Glucagon-like peptide 1 receptor, ...
Authors:Sun, B, Feng, D, Bueno, A, Kobilka, B, Sloop, K.
Deposit date:2019-12-20
Release date:2020-07-22
Last modified:2020-09-30
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural insights into probe-dependent positive allosterism of the GLP-1 receptor.
Nat.Chem.Biol., 16, 2020

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數據於2024-10-09公開中

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