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6DMB
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BU of 6dmb by Molmil
Cryo-EM structure of human Ptch1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
Authors:Yan, N, Gong, X, Qian, H.W.
Deposit date:2018-06-04
Release date:2018-07-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for the recognition of Sonic Hedgehog by human Patched1.
Science, 361, 2018
5ANG
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BU of 5ang by Molmil
Crystal structure of CDK2 in complex with 7-hydroxy-4-(morpholinomethyl)chromen-2-one processed with the CrystalDirect automated mounting and cryo-cooling technology
Descriptor: 7-HYDROXY-4-(MORPHOLINOMETHYL)CHROMEN-2-ONE, CYCLIN-DEPENDENT KINASE 2
Authors:Zander, U, Hoffmann, G, Mathieu, M, Marquette, J.-P, Cornaciu, I, Cipriani, F, Marquez, J.A.
Deposit date:2015-09-07
Release date:2016-04-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Automated Harvesting and Processing of Protein Crystals Through Laser Photoablation.
Acta Crystallogr.,Sect.D, 72, 2016
6DMO
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BU of 6dmo by Molmil
Cryo-EM structure of human Ptch1 with three mutations L282Q/T500F/P504L
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Protein patched homolog 1
Authors:Yan, N, Gong, X, Qian, H.W.
Deposit date:2018-06-05
Release date:2018-07-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural basis for the recognition of Sonic Hedgehog by human Patched1.
Science, 361, 2018
6OF0
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BU of 6of0 by Molmil
Structural basis for multidrug recognition and antimicrobial resistance by MTRR, an efflux pump regulator from Neisseria Gonorrhoeae
Descriptor: HTH-type transcriptional regulator MtrR, PHOSPHATE ION
Authors:Beggs, G.A, Kumaraswami, M, Shafer, W, Brennan, R.G.
Deposit date:2019-03-28
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural, Biochemical, and In Vivo Characterization of MtrR-Mediated Resistance to Innate Antimicrobials by the Human Pathogen Neisseria gonorrhoeae .
J.Bacteriol., 201, 2019
4O7K
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BU of 4o7k by Molmil
Crystal structure of Oncogenic Suppression Activity Protein - A Plasmid Fertility Inhibition Factor
Descriptor: CHLORIDE ION, ISOPROPYL ALCOHOL, PHOSPHATE ION, ...
Authors:Maindola, P, Goyal, P, Arulandu, A.
Deposit date:2013-12-25
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.748 Å)
Cite:Multiple enzymatic activities of ParB/Srx superfamily mediate sexual conflict among conjugative plasmids
Nat Commun, 5, 2014
4OVB
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BU of 4ovb by Molmil
Crystal structure of Oncogenic Suppression Activity Protein - A Plasmid Fertility Inhibition Factor, Gold (I) Cyanide derivative
Descriptor: GLYCEROL, GOLD (I) CYANIDE ION, PHOSPHATE ION, ...
Authors:Maindola, P, Goyal, P, Arulandu, A.
Deposit date:2014-02-21
Release date:2014-11-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.034 Å)
Cite:Multiple enzymatic activities of ParB/Srx superfamily mediate sexual conflict among conjugative plasmids
Nat Commun, 5, 2014
4Y29
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BU of 4y29 by Molmil
Identification of a novel PPARg ligand that regulates metabolism
Descriptor: 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium, Peptide from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Wang, R, Li, Y.
Deposit date:2015-02-09
Release date:2015-09-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Selective targeting of PPAR gamma by the natural product chelerythrine with a unique binding mode and improved antidiabetic potency.
Sci Rep, 5, 2015
8QMO
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BU of 8qmo by Molmil
Cryo-EM structure of the benzo[a]pyrene-bound Hsp90-XAP2-AHR complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ...
Authors:Kwong, H.S, Grandvuillemin, L, Sirounian, S, Ancelin, A, Lai-Kee-Him, J, Carivenc, C, Lancey, C, Ragan, T.J, Hesketh, E.L, Bourguet, W, Gruszczyk, J.
Deposit date:2023-09-24
Release date:2024-01-10
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:Structural Insights into the Activation of Human Aryl Hydrocarbon Receptor by the Environmental Contaminant Benzo[a]pyrene and Structurally Related Compounds.
J.Mol.Biol., 436, 2024
7R5K
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BU of 7r5k by Molmil
Human nuclear pore complex (constricted)
Descriptor: Aladin, E3 SUMO-protein ligase RanBP2, Nuclear pore complex protein Nup107, ...
Authors:Mosalaganti, S, Obarska-Kosinska, A, Siggel, M, Taniguchi, R, Turonova, B, Zimmerli, C.E, Buczak, K, Schmidt, F.H, Margiotta, E, Mackmull, M.T, Hagen, W.J.H, Hummer, G, Kosinski, J, Beck, M.
Deposit date:2022-02-10
Release date:2022-06-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (12 Å)
Cite:AI-based structure prediction empowers integrative structural analysis of human nuclear pores.
Science, 376, 2022
7R5J
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BU of 7r5j by Molmil
Human nuclear pore complex (dilated)
Descriptor: Aladin, E3 SUMO-protein ligase RanBP2, Nuclear pore complex protein Nup107, ...
Authors:Mosalaganti, S, Obarska-Kosinska, A, Siggel, M, Taniguchi, R, Turonova, B, Zimmerli, C.E, Buczak, K, Schmidt, F.H, Margiotta, E, Mackmull, M.T, Hagen, W.J.H, Hummer, G, Kosinski, J, Beck, M.
Deposit date:2022-02-10
Release date:2022-09-21
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (50 Å)
Cite:AI-based structure prediction empowers integrative structural analysis of human nuclear pores
Science, 376, 2022
7RLE
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BU of 7rle by Molmil
Crystal structure of PPAR gamma in complex with CREB-binding protein and agonist GW1929
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CREB-binding protein, Peroxisome proliferator-activated receptor gamma
Authors:Nemetchek, M.D, Sprang, S.R, Hughes, T.S.
Deposit date:2021-07-23
Release date:2022-08-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A structural mechanism of nuclear receptor biased agonism.
Proc.Natl.Acad.Sci.USA, 119, 2022
6PED
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BU of 6ped by Molmil
Crystal structure of HEMK2-TRMT112 complex
Descriptor: Methyltransferase N6AMT1, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Dong, C, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2019-06-20
Release date:2019-07-03
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of HEMK2-TRMT112 complex
To Be Published
5SYA
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BU of 5sya by Molmil
Atomic resolution structure of D24N mutant human DJ-1
Descriptor: 1,2-ETHANEDIOL, Protein deglycase DJ-1
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
8B0V
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BU of 8b0v by Molmil
Crystal structure of C-terminal domain of Pseudomonas aeruginosa LexA G91D mutant
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Vascon, F, De Felice, S, Chinellato, M, Maso, L, Cendron, L.
Deposit date:2022-09-08
Release date:2024-03-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural investigations on the SOS response in Pseudomonas aeruginosa
To Be Published
7JQC
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BU of 7jqc by Molmil
SARS-CoV-2 Nsp1, CrPV IRES and rabbit 40S ribosome complex
Descriptor: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
Authors:Yuan, S, Xiong, Y.
Deposit date:2020-08-10
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
5SY9
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BU of 5sy9 by Molmil
Atomic resolution structure of E15Q mutant human DJ-1
Descriptor: 1,2-ETHANEDIOL, Protein deglycase DJ-1
Authors:Wilson, M.A, Lin, J.
Deposit date:2016-08-10
Release date:2016-12-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Short Carboxylic Acid-Carboxylate Hydrogen Bonds Can Have Fully Localized Protons.
Biochemistry, 56, 2017
5V82
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BU of 5v82 by Molmil
PIM1 kinase in complex with Cpd17 (1-(6-(4,4-difluoropiperidin-3-yl)pyridin-2-yl)-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine)
Descriptor: 1-{6-[(3R)-4,4-difluoropiperidin-3-yl]pyridin-2-yl}-6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridine, Serine/threonine-protein kinase pim-1
Authors:Murray, J.M, Wallweber, H.
Deposit date:2017-03-21
Release date:2017-05-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.888 Å)
Cite:Discovery of 5-Azaindazole (GNE-955) as a Potent Pan-Pim Inhibitor with Optimized Bioavailability.
J. Med. Chem., 60, 2017
7E34
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BU of 7e34 by Molmil
Crystal structure of SUN1-Speedy A-CDK2
Descriptor: Cyclin-dependent kinase 2, GLYCEROL, SUN domain-containing protein 1, ...
Authors:Chen, Y, Huang, C, Wu, J, Lei, M.
Deposit date:2021-02-08
Release date:2021-04-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:The SUN1-SPDYA interaction plays an essential role in meiosis prophase I.
Nat Commun, 12, 2021
7PVU
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BU of 7pvu by Molmil
Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1
Descriptor: Mitogen-activated protein kinase 14, N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide
Authors:Baginski, B, Pous, J, Gonzalez, L, Macias, M.J, Nebreda, A.R.
Deposit date:2021-10-05
Release date:2023-05-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.154 Å)
Cite:Characterization of p38 alpha autophosphorylation inhibitors that target the non-canonical activation pathway.
Nat Commun, 14, 2023
3SHO
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BU of 3sho by Molmil
Crystal structure of RpiR transcription factor from Sphaerobacter thermophilus (sugar isomerase domain)
Descriptor: Transcriptional regulator, RpiR family
Authors:Michalska, K, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-06-16
Release date:2011-08-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of RpiR transcription factor from Sphaerobacter thermophilus (sugar isomerase domain)
TO BE PUBLISHED
7JQB
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BU of 7jqb by Molmil
SARS-CoV-2 Nsp1 and rabbit 40S ribosome complex
Descriptor: 40S ribosomal protein S21, 40S ribosomal protein S24, 40S ribosomal protein S26, ...
Authors:Yuan, S, Xiong, Y.
Deposit date:2020-08-10
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Nonstructural Protein 1 of SARS-CoV-2 Is a Potent Pathogenicity Factor Redirecting Host Protein Synthesis Machinery toward Viral RNA.
Mol.Cell, 80, 2020
7QOO
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BU of 7qoo by Molmil
Structure of the human inner kinetochore CCAN complex
Descriptor: Centromere protein C, Centromere protein H, Centromere protein I, ...
Authors:Vetter, I.R, Pesenti, M, Raisch, T.
Deposit date:2021-12-24
Release date:2022-06-08
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structure of the human inner kinetochore CCAN complex and its significance for human centromere organization.
Mol.Cell, 82, 2022
6DMY
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BU of 6dmy by Molmil
Cryo-EM structure of human Ptch1 and ShhN complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Yan, N, Gong, X, Qian, H.W.
Deposit date:2018-06-05
Release date:2018-07-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis for the recognition of Sonic Hedgehog by human Patched1.
Science, 361, 2018
5SZS
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BU of 5szs by Molmil
Glycan shield and epitope masking of a coronavirus spike protein observed by cryo-electron microscopy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Walls, A.C, Tortorici, M.A, Frenz, B, Snijder, J, Li, W, Rey, F.A, DiMaio, F, Bosch, B.J, Veesler, D.
Deposit date:2016-08-15
Release date:2016-09-14
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Glycan shield and epitope masking of a coronavirus spike protein observed by cryo-electron microscopy.
Nat.Struct.Mol.Biol., 23, 2016
5T0Q
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BU of 5t0q by Molmil
Crystal structure of the Myc3 N-terminal domain [44-242] in complex with JAZ10 Jas domain [166-192] from arabidopsis
Descriptor: Protein TIFY 9, Transcription factor MYC3
Authors:Ke, J, Zhang, F, Brunzelle, J.S, He, S.Y, Xu, H.E, Melcher, K.
Deposit date:2016-08-16
Release date:2017-01-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural insights into alternative splicing-mediated desensitization of jasmonate signaling.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017

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