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7M7B
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BU of 7m7b by Molmil
SARS-CoV-2 Spike:Fab 3D11 complex focused refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab 3D11 heavy chain, Antibody Fab 3D11 light chain, ...
Authors:Asarnow, D, Cheng, Y.
Deposit date:2021-03-27
Release date:2021-05-26
Last modified:2021-06-23
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Structural insight into SARS-CoV-2 neutralizing antibodies and modulation of syncytia.
Cell, 184, 2021
3QWX
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BU of 3qwx by Molmil
CED-2 1-174
Descriptor: Cell death abnormality protein 2, SULFATE ION
Authors:Kang, Y, Sun, J, Liu, Y.
Deposit date:2011-02-28
Release date:2011-06-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structure of the cell corpse engulfment protein CED-2 in Caenorhabditis elegans.
Biochem.Biophys.Res.Commun., 410, 2011
3IGB
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BU of 3igb by Molmil
Bace-1 with Compound 3
Descriptor: 8,8-diphenyl-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine, Beta-secretase 1
Authors:Olland, A.M.
Deposit date:2009-07-27
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.238 Å)
Cite:Aminoimidazoles as potent and selective human beta-secretase (BACE1) inhibitors
J.Med.Chem., 52, 2009
3IN4
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BU of 3in4 by Molmil
Bace1 with Compound 38
Descriptor: (5S)-2-amino-5-(2,6-diethylpyridin-4-yl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M.
Deposit date:2009-08-11
Release date:2010-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
3IN3
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BU of 3in3 by Molmil
Bace1 with Compound 30
Descriptor: (5S)-2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1
Authors:Olland, A.M.
Deposit date:2009-08-11
Release date:2010-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Di-substituted pyridinyl aminohydantoins as potent and highly selective human beta-secretase (BACE1) inhibitors.
Bioorg.Med.Chem., 18, 2010
6KUZ
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BU of 6kuz by Molmil
E.coli beta-galactosidase (E537Q) in complex with fluorescent probe KSL01
Descriptor: 3-(1,3-benzothiazol-2-yl)-2-[[4-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]methoxy]-5-methyl-benzaldehyde, Beta-galactosidase, DIMETHYL SULFOXIDE, ...
Authors:Chen, X, Hu, Y.L, Li, X.K, Guo, Y, Li, J.
Deposit date:2019-09-03
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:First-generation species-selective chemical probes for fluorescence imaging of human senescence-associated beta-galactosidase.
Chem Sci, 11, 2020
7LGS
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BU of 7lgs by Molmil
Structure of EGFR_D770_N771insNPG/V948R in complex with covalent inhibitor Osimertinib.
Descriptor: 1,2-ETHANEDIOL, CITRIC ACID, Epidermal growth factor receptor, ...
Authors:Skene, R.J, Lane, W.
Deposit date:2021-01-21
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Mobocertinib (TAK-788): A Targeted Inhibitor of EGFR Exon 20 Insertion Mutants in Non-Small Cell Lung Cancer.
Cancer Discov, 11, 2021
5D2U
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BU of 5d2u by Molmil
Crystal structure of tPphA Variant - H39A
Descriptor: CALCIUM ION, Protein serin-threonin phosphatase
Authors:Su, J.
Deposit date:2015-08-06
Release date:2016-05-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Characterization of a Cyanobacterial PP2C Phosphatase Reveals Insights into Catalytic Mechanism and Substrate Recognition
Catalysts, 2016
4LJR
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BU of 4ljr by Molmil
Structural insights into the unique single-stranded DNA binding mode of DNA processing protein A from Helicobacter pylori
Descriptor: DNA processing chain A, single-stranded DNA
Authors:Wang, W.
Deposit date:2013-07-05
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the unique single-stranded DNA-binding mode of Helicobacter pylori DprA.
Nucleic Acids Res., 42, 2014
4LJL
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BU of 4ljl by Molmil
Structural insights into the unique single-stranded DNA binding mode of DNA processing protein A from Helicobacter pylori
Descriptor: DNA processing chain A (DprA)
Authors:Wang, W.
Deposit date:2013-07-05
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the unique single-stranded DNA-binding mode of Helicobacter pylori DprA.
Nucleic Acids Res., 42, 2014
4LJK
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BU of 4ljk by Molmil
Structural insights into the unique single-stranded DNA binding mode of DNA processing protein A from Helicobacter pylori
Descriptor: DNA processing chain A (DprA)
Authors:Wang, W.
Deposit date:2013-07-05
Release date:2014-01-01
Last modified:2014-11-12
Method:X-RAY DIFFRACTION (2.354 Å)
Cite:Structural insights into the unique single-stranded DNA-binding mode of Helicobacter pylori DprA.
Nucleic Acids Res., 42, 2014
7M8E
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BU of 7m8e by Molmil
E.coli RNAP-RapA elongation complex
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Shi, W, Liu, B.
Deposit date:2021-03-29
Release date:2021-08-18
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for activation of Swi2/Snf2 ATPase RapA by RNA polymerase.
Nucleic Acids Res., 49, 2021
5UHT
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BU of 5uht by Molmil
Structure of the Thermotoga maritima HK853-BeF3-RR468 complex at pH 5.0
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Liu, Y, Rose, J, Jiang, L, Zhou, P.
Deposit date:2017-01-12
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases.
Nat Commun, 8, 2017
1T4K
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BU of 1t4k by Molmil
Crystal Structure of Unliganded Aldolase Antibody 93F3 Fab
Descriptor: IMMUNOGLOBULIN IGG1, HEAVY CHAIN, KAPPA LIGHT CHAIN, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2004-04-29
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Origin of Enantioselectivity in Aldolase Antibodies: Crystal Structure, Site-directed Mutagenesis, and Computational Analysis
J.Mol.Biol., 343, 2004
7T4I
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BU of 7t4i by Molmil
Crystal Structure of wild type EGFR in complex with TAK-788
Descriptor: Epidermal growth factor receptor, propan-2-yl 2-[[4-[2-(dimethylamino)ethyl-methyl-amino]-2-methoxy-5-(propanoylamino)phenyl]amino]-4-(1-methylindol-3-yl)pyrimidine-5-carboxylate
Authors:Skene, R.J, Lane, W.
Deposit date:2021-12-10
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of mobocertinib, a potent, oral inhibitor of EGFR exon 20 insertion mutations in non-small cell lung cancer.
Bioorg.Med.Chem.Lett., 80, 2022
8J85
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BU of 8j85 by Molmil
Cryo-EM structure of ochratoxin A-detoxifying amidohydrolase ADH3 mutant S88E in complex with ochratoxin A
Descriptor: (2~{S})-2-[[(3~{R})-5-chloranyl-3-methyl-8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-7-yl]carbonylamino]-3-phenyl-propanoic acid, Amidohydrolase family protein, ZINC ION
Authors:Dai, L.H, Niu, D, Huang, J.-W, Li, X, Shen, P.P, Li, H, Hu, Y.M, Yang, Y, Chen, C.-C, Guo, R.-T.
Deposit date:2023-04-30
Release date:2023-08-30
Last modified:2023-11-15
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structure and rational engineering of a superefficient ochratoxin A-detoxifying amidohydrolase.
J Hazard Mater, 458, 2023
5UCM
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BU of 5ucm by Molmil
Crystal Structure of Prolyl-tRNA Synthetase from Pseudomonas aeruginosa
Descriptor: MAGNESIUM ION, Proline--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2016-12-22
Release date:2017-02-22
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Characterization and structure determination of prolyl-tRNA synthetase from Pseudomonas aeruginosa and development as a screening platform.
Protein Sci., 2019
2FEK
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BU of 2fek by Molmil
Structure of a protein tyrosine phosphatase
Descriptor: Low molecular weight protein-tyrosine-phosphatase wzb
Authors:Lescop, E, Jin, C.
Deposit date:2005-12-16
Release date:2006-05-09
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structure of Escherichia coli Wzb reveals a novel substrate recognition mechanism of prokaryotic low molecular weight protein-tyrosine phosphatases
J.Biol.Chem., 281, 2006
5UOO
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BU of 5uoo by Molmil
BRD4 bromodomain 2 in complex with CD161
Descriptor: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole, Bromodomain-containing protein 4
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2017-02-01
Release date:2017-05-17
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor.
J. Med. Chem., 60, 2017
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
Descriptor: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
Authors:Plotnikov, A.N, Joshua, j, Zhou, M.-M.
Deposit date:2017-01-24
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8IUF
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BU of 8iuf by Molmil
Cryo-EM structure of Euglena gracilis super-complex I+III2+IV, composite
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
Authors:Wu, M.C, Tian, H.T, He, Z.X, Hu, Y.Q, Zhou, L.
Deposit date:2023-03-24
Release date:2024-02-28
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Nat Commun, 15, 2024
8J9H
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BU of 8j9h by Molmil
Cryo-EM structure of Euglena gracilis respiratory complex I, deactive state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ...
Authors:Wu, M.C, He, Z.X, Tian, H.T, Hu, Y.Q, Han, F.Z, Zhou, L.
Deposit date:2023-05-03
Release date:2024-02-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Nat Commun, 15, 2024
8J9I
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BU of 8j9i by Molmil
Cryo-EM structure of Euglena gracilis complex I, turnover state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Wu, M.C, He, Z.X, Tian, H.T, Hu, Y.Q, Han, F.Z, Zhou, L.
Deposit date:2023-05-03
Release date:2024-02-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (2.87 Å)
Cite:Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Nat Commun, 15, 2024
8J9J
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BU of 8j9j by Molmil
Cryo-EM structure of Euglena gracilis complex I, NADH state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Wu, M.C, He, Z.X, Tian, H.T, Hu, Y.Q, Han, F.Z, Zhou, L.
Deposit date:2023-05-03
Release date:2024-02-28
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Nat Commun, 15, 2024
8IUJ
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BU of 8iuj by Molmil
Cryo-EM structure of Euglena gracilis super-complex III2+IV2, composite
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ...
Authors:Wu, M.C, Tian, H.T, He, Z.X, Hu, Y.Q, Zhou, L.
Deposit date:2023-03-24
Release date:2024-02-28
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Euglena's atypical respiratory chain adapts to the discoidal cristae and flexible metabolism.
Nat Commun, 15, 2024

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