5GW1
 
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2N51
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6C1S
 | | Phosphoinositide 3-Kinase gamma bound to an pyrrolopyridinone Inhibitor | | Descriptor: | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, {4-[2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-1H-pyrazol-1-yl}acetonitrile | | Authors: | Jacobs, M.D, Griffin, J.P. | | Deposit date: | 2018-01-05 | | Release date: | 2018-06-27 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Design and Synthesis of a Novel Series of Orally Bioavailable, CNS-Penetrant, Isoform Selective Phosphoinositide 3-Kinase gamma (PI3K gamma ) Inhibitors with Potential for the Treatment of Multiple Sclerosis (MS).
J. Med. Chem., 61, 2018
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5Y0H
 | | Solution structure of arenicin-3 derivative N6 | | Descriptor: | N6 | | Authors: | Liu, X.H, Wang, J.H. | | Deposit date: | 2017-07-17 | | Release date: | 2017-07-26 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
Sci Rep, 7, 2017
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5Y0J
 | | Solution structure of arenicin-3 derivative N2 | | Descriptor: | N2 | | Authors: | Liu, X.H, Wang, J.H. | | Deposit date: | 2017-07-17 | | Release date: | 2017-07-26 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Antibacterial and detoxifying activity of NZ17074 analogues with multi-layers of selective antimicrobial actions against Escherichia coli and Salmonella enteritidis
Sci Rep, 7, 2017
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5ZE3
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5TZY
 | | GPR40 in complex with AgoPAM AP8 and partial agonist MK-8666 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, ... | | Authors: | Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M. | | Deposit date: | 2016-11-22 | | Release date: | 2017-06-07 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.22 Å) | | Cite: | Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
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4HCN
 | | Crystal structure of Burkholderia pseudomallei effector protein CHBP in complex with ubiquitin | | Descriptor: | DI(HYDROXYETHYL)ETHER, FORMIC ACID, PHOSPHATE ION, ... | | Authors: | Yao, Q, Cui, J, Zhu, Y, Shao, F. | | Deposit date: | 2012-09-30 | | Release date: | 2012-11-21 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural mechanism of ubiquitin and NEDD8 deamidation catalyzed by bacterial effectors that induce macrophage-specific apoptosis.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8FZ6
 | | The human PI31 complexed with bovine 20S proteasome | | Descriptor: | Proteasome inhibitor PI31 subunit, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | | Authors: | Hsu, H.-C, Li, H. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.54 Å) | | Cite: | Eta igh-resolution structure of mammalian PI31-20S proteasome complex reveals mechanism of proteasome inhibition.
J.Biol.Chem., 299, 2023
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8FZ5
 | | The PI31-free Bovine 20S proteasome | | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | | Authors: | Hsu, H.-C, Li, H. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-05 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (2.23 Å) | | Cite: | Eta igh-resolution structure of mammalian PI31-20S proteasome complex reveals mechanism of proteasome inhibition.
J.Biol.Chem., 299, 2023
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6WIR
 | | Fab antigen complex | | Descriptor: | Fab heavy chain, Fab light chain, Interleukin-17A | | Authors: | Antonysamy, S. | | Deposit date: | 2020-04-10 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
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8YBF
 | | Crystal structure of canine distemper virus hemagglutinin | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin glycoprotein | | Authors: | Fukuhara, H, Yumoto, K, Sako, M, Kajikawa, M, Ose, T, Hashiguchi, T, Kamishikiryo, J, Maita, N, Kuroki, K, Maenaka, K. | | Deposit date: | 2024-02-13 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Glycan-shielded homodimer structure and dynamical features of the canine distemper virus hemagglutinin relevant for viral entry and efficient vaccination.
Elife, 12, 2024
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5ZOV
 | | Inward-facing conformation of L-ascorbate transporter UlaA | | Descriptor: | ASCORBIC ACID, CALCIUM ION, PTS ascorbate-specific subunit IIBC | | Authors: | Wang, J.W. | | Deposit date: | 2018-04-16 | | Release date: | 2018-08-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3.333 Å) | | Cite: | Inward-facing conformation of l-ascorbate transporter suggests an elevator mechanism
Cell Discov, 4, 2018
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5T5G
 | | human SETD8 in complex with MS2177 | | Descriptor: | 7-(2-aminoethoxy)-6-methoxy-2-(pyrrolidin-1-yl)-N-[5-(pyrrolidin-1-yl)pentyl]quinazolin-4-amine, N-lysine methyltransferase KMT5A, UNKNOWN ATOM OR ION | | Authors: | Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-08-30 | | Release date: | 2016-09-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
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6NW2
 | | Structure of human RIPK1 kinase domain in complex with compound 11 | | Descriptor: | (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide, Receptor-interacting serine/threonine-protein kinase 1 | | Authors: | Fong, R, Lupardus, P.J. | | Deposit date: | 2019-02-05 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and selective inhibitors of receptor-interacting protein kinase 1 that lack an aromatic back pocket group.
Bioorg.Med.Chem.Lett., 29, 2019
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5TH7
 | | Complex of SETD8 with MS453 | | Descriptor: | 1,2-ETHANEDIOL, N-(3-{[6,7-dimethoxy-2-(pyrrolidin-1-yl)quinazolin-4-yl]amino}propyl)propanamide, N-lysine methyltransferase KMT5A, ... | | Authors: | Yu, W, Tempel, W, Babault, N, Ma, A, Butler, K.V, Jin, J, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-09-29 | | Release date: | 2016-11-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure-Based Design of a Covalent Inhibitor of the SET Domain-Containing Protein 8 (SETD8) Lysine Methyltransferase.
J. Med. Chem., 59, 2016
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3J9K
 | | Structure of Dark apoptosome in complex with Dronc CARD domain | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Apaf-1 related killer DARK, Caspase Nc | | Authors: | Pang, Y, Bai, X, Yan, C, Hao, Q, Chen, Z, Wang, J, Scheres, S.H.W, Shi, Y. | | Deposit date: | 2015-02-04 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of the apoptosome: mechanistic insights into activation of an initiator caspase from Drosophila.
Genes Dev., 29, 2015
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5X83
 | | Structure of DCC FN456 domains | | Descriptor: | Netrin receptor DCC | | Authors: | Finci, F.I, Xiao, J, Wang, J. | | Deposit date: | 2017-02-28 | | Release date: | 2017-09-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.997 Å) | | Cite: | Structure of unliganded membrane-proximal domains FN4-FN5-FN6 of DCC
Protein Cell, 8, 2017
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6KAF
 | | C2S2M2N2-type PSII-LHCII | | Descriptor: | (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | | Authors: | Chang, S.H, Shen, L.L, Huang, Z.H, Wang, W.D, Han, G.Y, Shen, J.R, Zhang, X. | | Deposit date: | 2019-06-22 | | Release date: | 2019-10-23 | | Last modified: | 2019-11-20 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Structure of a C2S2M2N2-type PSII-LHCII supercomplex from the green algaChlamydomonas reinhardtii.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7VW1
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7VW0
 | | Structure of a dimeric periplasmic protein | | Descriptor: | DUF305 domain-containing protein | | Authors: | Yang, J, Liu, L. | | Deposit date: | 2021-11-09 | | Release date: | 2022-01-26 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.447 Å) | | Cite: | Structural basis of copper binding by a dimeric periplasmic protein forming a six-helical bundle.
J.Inorg.Biochem., 229, 2022
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3HI6
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3J9L
 | | Structure of Dark apoptosome from Drosophila melanogaster | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Apaf-1 related killer DARK | | Authors: | Pang, Y, Bai, X, Yan, C, Hao, Q, Chen, Z, Wang, J, Scheres, S.H.W, Shi, Y. | | Deposit date: | 2015-02-04 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure of the apoptosome: mechanistic insights into activation of an initiator caspase from Drosophila.
Genes Dev., 29, 2015
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6K1H
 | | Structure of membrane protein | | Descriptor: | PTS mannose transporter subunit IID, PTS system mannose-specific EIIC component, alpha-D-mannopyranose | | Authors: | Wang, J.W, Zeng, J.W. | | Deposit date: | 2019-05-10 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.52 Å) | | Cite: | Structure of the mannose transporter of the bacterial phosphotransferase system.
Cell Res., 29, 2019
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6A03
 | | Structure of pSTING complex | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, SULFATE ION, Stimulator of interferon genes protein | | Authors: | Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C. | | Deposit date: | 2018-06-05 | | Release date: | 2019-06-19 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.597 Å) | | Cite: | Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
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