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7UEB
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BU of 7ueb by Molmil
Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO2)
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ...
Authors:Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L.
Deposit date:2022-03-21
Release date:2022-10-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Nat Commun, 13, 2022
7UEA
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BU of 7uea by Molmil
Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO1)
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ...
Authors:Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L.
Deposit date:2022-03-21
Release date:2022-10-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Nat Commun, 13, 2022
4RFT
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BU of 4rft by Molmil
T=1 subviral particle of Grouper nervous necrosis virus capsid protein deletion mutant (delta 1-34 & 218-338)
Descriptor: Coat protein
Authors:Chen, N.C, Chen, C.J, Yoshimura, M, Guan, H.H, Chen, T.Y.
Deposit date:2014-09-27
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structures of a Piscine Betanodavirus: Mechanisms of Capsid Assembly and Viral Infection
Plos Pathog., 11, 2015
6CMJ
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BU of 6cmj by Molmil
Human CAMKK2 with GSK650393
Descriptor: 1,2-ETHANEDIOL, 2-(2-methylpropyl)-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2, ...
Authors:Williams, S.P, Reid, R.A, Price, D.J, Drewry, D.H.
Deposit date:2018-03-05
Release date:2018-04-04
Last modified:2018-05-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An orally available, brain-penetrant CAMKK2 inhibitor reduces food intake in rodent model.
Bioorg. Med. Chem. Lett., 28, 2018
6PQ3
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BU of 6pq3 by Molmil
Crystal structure of GDP-bound KRAS with ten residues long internal tandem duplication in the switch II region
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Dharmaiah, S, Chan, A.H, Tran, T.H, Simanshu, D.K.
Deposit date:2019-07-08
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling.
J.Biol.Chem., 295, 2020
4WIZ
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BU of 4wiz by Molmil
Crystal structure of Grouper nervous necrosis virus-like particle at 3.6A
Descriptor: CALCIUM ION, Coat protein
Authors:Chen, N.C, Chen, C.J, Yoshimura, M, Guan, H.H, Chen, T.Y.
Deposit date:2014-09-28
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal Structures of a Piscine Betanodavirus: Mechanisms of Capsid Assembly and Viral Infection
Plos Pathog., 11, 2015
3DDW
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BU of 3ddw by Molmil
Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK055
Descriptor: (2S)-{[(3-{[(2-chloro-6-methylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]amino}(phenyl)ethanoic acid, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ...
Authors:Nolte, R.T.
Deposit date:2008-06-06
Release date:2009-01-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.
Bioorg.Med.Chem.Lett., 19, 2009
3DDS
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BU of 3dds by Molmil
Crystal structure of glycogen phosphorylase complexed with an anthranilimide based inhibitor GSK261
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CAFFEINE, ...
Authors:Nolte, R.T.
Deposit date:2008-06-06
Release date:2009-01-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.
Bioorg.Med.Chem.Lett., 19, 2009
3DD1
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BU of 3dd1 by Molmil
Crystal structure of glycogen phophorylase complexed with an anthranilimide based inhibitor GSK254
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-cyclohexyl-N-[(3-{[(2,4,6-trimethylphenyl)carbamoyl]amino}naphthalen-2-yl)carbonyl]-D-alanine, ...
Authors:Nolte, R.T.
Deposit date:2008-06-04
Release date:2009-04-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy.
Bioorg.Med.Chem.Lett., 19, 2009
4RFU
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BU of 4rfu by Molmil
Crystal structure of truncated P-domain from Grouper nervous necrosis virus capsid protein at 1.2A
Descriptor: CALCIUM ION, Coat protein, DI(HYDROXYETHYL)ETHER, ...
Authors:Chen, N.C, Chen, C.J, Yoshimura, M, Guan, H.H, Chen, T.Y.
Deposit date:2014-09-27
Release date:2015-10-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structures of a Piscine Betanodavirus: Mechanisms of Capsid Assembly and Viral Infection
Plos Pathog., 11, 2015
6WGH
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BU of 6wgh by Molmil
Crystal structure of GDP-bound NRAS with ten residues long internal tandem duplication in the switch II region
Descriptor: CITRATE ANION, GLYCEROL, GTPase NRas, ...
Authors:Dharmaiah, S, Simanshu, D.K.
Deposit date:2020-04-05
Release date:2020-05-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:RASinternal tandem duplication disrupts GTPase-activating protein (GAP) binding to activate oncogenic signaling.
J.Biol.Chem., 295, 2020
8GBS
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BU of 8gbs by Molmil
Integrative model of the native Ana GV shell
Descriptor: Gas vesicle protein C, Gas vesicle structural protein
Authors:Dutka, P, Metskas, L.A, Hurt, R.C, Salahshoor, H, Wang, T.U, Malounda, D, Lu, G, Chou, T.F, Shapiro, M.G, Jensen, J.J.
Deposit date:2023-02-28
Release date:2023-04-19
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (8 Å)
Cite:Structure of Anabaena flos-aquae gas vesicles revealed by cryo-ET.
Structure, 31, 2023
5C3N
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BU of 5c3n by Molmil
Crystal structure of MERS coronavirus main protease in spacegroup C2221
Descriptor: ORF1a protein
Authors:Chou, C.Y, Cheng, S.C.
Deposit date:2015-06-17
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Critical Assessment of the Important Residues Involved in the Dimerization and Catalysis of MERS Coronavirus Main Protease.
Plos One, 10, 2015
7DY7
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BU of 7dy7 by Molmil
Discovery of Novel Small-molecule Inhibitors of PD-1/PD-L1 Axis that Promotes PD-L1 Internalization and Degradation
Descriptor: 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol, Programmed cell death 1 ligand 1
Authors:Cheng, Y, Wang, T.Y, Lu, M.L, Jiang, S, Xiao, Y.B.
Deposit date:2021-01-20
Release date:2022-01-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation.
J.Med.Chem., 65, 2022
8GQP
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BU of 8gqp by Molmil
Complex of D-protein binder D-19437 and L-target L-Pep-1
Descriptor: D-binder, L-pep1
Authors:Liang, M.F, Li, S.C, Wang, T.Y, Liu, L, Lu, P.L.
Deposit date:2022-08-30
Release date:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of D-protein binder D-19437 and L-target L-Pep-1
To Be Published
5H29
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BU of 5h29 by Molmil
Crystal Structure of the NTD_N/C domain of Alkylhydroperoxide Reductase AhpF from Enterococcus Faecalis (V583)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, PROLINE, SULFATE ION, ...
Authors:Balakrishna, A.M, Kwang, T.Y, Gruber, G.
Deposit date:2016-10-14
Release date:2017-11-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel insights into the vancomycin-resistant Enterococcus faecalis (V583) alkylhydroperoxide reductase subunit F
Biochim. Biophys. Acta, 1861, 2017

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