6W44
 
 | | Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 4 | | Descriptor: | 5-[methyl-[(2-propoxypyridin-3-yl)methyl]amino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | | Authors: | Ferguson, A.D. | | Deposit date: | 2020-03-10 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
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6W4C
 | | Crystal structure of HAO1 in complex with indazole acid inhibitor - compound 5 | | Descriptor: | 5-[[3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-2-oxidanyl-phenyl]methylamino]-2~{H}-indazole-3-carboxylic acid, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1 | | Authors: | Ferguson, A.D. | | Deposit date: | 2020-03-10 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of Novel, Potent Inhibitors of Hydroxy Acid Oxidase 1 (HAO1) Using DNA-Encoded Chemical Library Screening.
J.Med.Chem., 64, 2021
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6NNA
 | | Human Fatty Acid Synthase Psi/KR Tri-Domain with NADPH and Compound 22 | | Descriptor: | 1,2-ETHANEDIOL, Fatty acid synthase,Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Toms, A.V, Martin, M.W. | | Deposit date: | 2019-01-14 | | Release date: | 2019-02-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Discovery and optimization of novel piperazines as potent inhibitors of fatty acid synthase (FASN).
Bioorg. Med. Chem. Lett., 29, 2019
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3NBS
 | | Crystal structure of dimeric cytochrome c from horse heart | | Descriptor: | Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ... | | Authors: | Taketa, M, Komori, H, Hirota, S, Higuchi, Y. | | Deposit date: | 2010-06-04 | | Release date: | 2010-07-14 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Cytochrome c polymerization by successive domain swapping at the C-terminal helix
Proc.Natl.Acad.Sci.USA, 107, 2010
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6W5D
 | | Crystal Structure of Fab RSB1 | | Descriptor: | RSB1 Fab Heavy Chain, RSB1 Fab Light Chain | | Authors: | Harshbarger, W, Chandramouli, S, Malito, M. | | Deposit date: | 2020-03-13 | | Release date: | 2020-11-11 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Convergent structural features of respiratory syncytial virus neutralizing antibodies and plasticity of the site V epitope on prefusion F.
Plos Pathog., 16, 2020
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3NBT
 | | Crystal structure of trimeric cytochrome c from horse heart | | Descriptor: | Cytochrome c, DI(HYDROXYETHYL)ETHER, HEME C, ... | | Authors: | Taketa, M, Komori, H, Hirota, S, Higuchi, Y. | | Deposit date: | 2010-06-04 | | Release date: | 2010-07-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cytochrome c polymerization by successive domain swapping at the C-terminal helix
Proc.Natl.Acad.Sci.USA, 107, 2010
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8X8P
 | | Phenylethanol rhamnosyltransferase (CmGT3) | | Descriptor: | 1,2-ETHANEDIOL, Phenylethanol rhamnosyltransferase (CmGT3) | | Authors: | Wang, H.T, Wang, Z.L, Ye, M. | | Deposit date: | 2023-11-28 | | Release date: | 2024-04-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | Construct Phenylethanoid Glycosides Harnessing Biosynthetic Networks, Protein Engineering and One-Pot Multienzyme Cascades.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8ISK
 | | Pr conformer of Zea mays phytochrome A1 - ZmphyA1-Pr | | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome | | Authors: | Zhang, Y, Ma, C, Zhao, J, Gao, N, Wang, J. | | Deposit date: | 2023-03-20 | | Release date: | 2023-08-09 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into plant phytochrome A as a highly sensitized photoreceptor.
Cell Res., 33, 2023
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8ISJ
 | | Pr conformer of Arabidopsis thaliana phytochrome A - AtphyA-Pr | | Descriptor: | 3-[5-[[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-3,4-dihydropyrrol-2-yl]methyl]-2-[[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1~{H}-pyrrol-2-yl]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid, Phytochrome A | | Authors: | Zhang, Y, Ma, C, Zhao, J, Gao, N, Wang, J. | | Deposit date: | 2023-03-20 | | Release date: | 2023-08-09 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural insights into plant phytochrome A as a highly sensitized photoreceptor.
Cell Res., 33, 2023
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8ISI
 | | Photochromobilin-free form of Arabidopsis thaliana phytochrome A - apo-AtphyA | | Descriptor: | Phytochrome A | | Authors: | Zhang, Y, Ma, C, Zhao, J, Gao, N, Wang, J. | | Deposit date: | 2023-03-20 | | Release date: | 2023-08-09 | | Last modified: | 2023-10-11 | | Method: | ELECTRON MICROSCOPY (3.77 Å) | | Cite: | Structural insights into plant phytochrome A as a highly sensitized photoreceptor.
Cell Res., 33, 2023
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7X9Q
 | | Crystal structure of human STING complexed with compound BSP16 | | Descriptor: | (2R)-4-(5,6-dimethoxy-1-benzoselenophen-2-yl)-2-ethyl-4-oxidanylidene-butanoic acid, Stimulator of interferon genes protein | | Authors: | Pan, L, Guan, X, Feng, X, Li, Z, Bian, J. | | Deposit date: | 2022-03-15 | | Release date: | 2022-09-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of Selenium-Containing STING Agonists as Orally Available Antitumor Agents.
J.Med.Chem., 65, 2022
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5C1O
 | | Crystal structure of AMP-PNP complexed D-alanine-D-alanine ligase(DDL) from Yersinia pestis | | Descriptor: | D-alanine--D-alanine ligase, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | | Authors: | Tran, H.T, Kang, L.W, Hong, M.K. | | Deposit date: | 2015-06-15 | | Release date: | 2016-03-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of D-alanine-D-alanine ligase from Yersinia pestis: nucleotide phosphate recognition by the serine loop.
Acta Crystallogr D Struct Biol, 72, 2016
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5CD3
 | | Structure of immature VRC01-class antibody DRVIA7 | | Descriptor: | DRVIA7 Heavy Chain, DRVIA7 Light Chain | | Authors: | Kong, L, Wilson, I.A. | | Deposit date: | 2015-07-02 | | Release date: | 2016-04-06 | | Last modified: | 2018-09-05 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Key gp120 Glycans Pose Roadblocks to the Rapid Development of VRC01-Class Antibodies in an HIV-1-Infected Chinese Donor.
Immunity, 44, 2016
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5C1P
 | | Crystal structure of ADP and D-alanyl-D-alanine complexed D-alanine-D-alanine ligase(DDL) from Yersinia pestis | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, D-ALANINE, ... | | Authors: | Tran, H.T, Kang, L.W, Hong, M.K, Ngo, H.P.T. | | Deposit date: | 2015-06-15 | | Release date: | 2016-03-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of D-alanine-D-alanine ligase from Yersinia pestis: nucleotide phosphate recognition by the serine loop.
Acta Crystallogr D Struct Biol, 72, 2016
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2GZM
 | | Crystal Structure of the Glutamate Racemase from Bacillus anthracis | | Descriptor: | D-GLUTAMIC ACID, Glutamate racemase | | Authors: | May, M, Santarsiero, B.D, Johnson, M.E, Mesecar, A.D. | | Deposit date: | 2006-05-11 | | Release date: | 2007-05-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structural and functional analysis of two glutamate racemase isozymes from Bacillus anthracis and implications for inhibitor design.
J.Mol.Biol., 371, 2007
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5Y3A
 | | Crystal structure of Ragulator complex (p18 49-161) | | Descriptor: | Ragulator complex protein LAMTOR1, Ragulator complex protein LAMTOR2, Ragulator complex protein LAMTOR3, ... | | Authors: | Zhang, T, Ding, J. | | Deposit date: | 2017-07-28 | | Release date: | 2017-12-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for Ragulator functioning as a scaffold in membrane-anchoring of Rag GTPases and mTORC1.
Nat Commun, 8, 2017
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5CD5
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6CKB
 | | Crystal structure of an extended beta3 integrin P33 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Chimera protein of Integrin beta-3 and Integrin alpha-L, ... | | Authors: | Zhou, D, Zhu, J. | | Deposit date: | 2018-02-27 | | Release date: | 2018-08-01 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of an extended beta3integrin.
Blood, 132, 2018
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5UJJ
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7V2Z
 | | ZIKV NS3helicase in complex with ssRNA and ATP-Mn2+ | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Core protein, MANGANESE (II) ION, ... | | Authors: | Lin, M.M, Yang, H.T. | | Deposit date: | 2021-08-10 | | Release date: | 2022-08-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.10101676 Å) | | Cite: | Structural Basis of Zika Virus Helicase in RNA Unwinding and ATP Hydrolysis.
Acs Infect Dis., 8, 2022
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5UJI
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6D1W
 | | human PKD2 F604P mutant | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Polycystin-2 | | Authors: | Zheng, W, Yang, X, Bulkley, D, Chen, X.Z, Cao, E. | | Deposit date: | 2018-04-12 | | Release date: | 2018-06-27 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.54 Å) | | Cite: | Hydrophobic pore gates regulate ion permeation in polycystic kidney disease 2 and 2L1 channels.
Nat Commun, 9, 2018
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6CA4
 | | Crystal structure of humanized D. rerio TDP2 by 14 mutations | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, MALONATE ION, ... | | Authors: | Shi, K, Aihrara, H. | | Deposit date: | 2018-01-29 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.623 Å) | | Cite: | New fluorescence-based high-throughput screening assay for small molecule inhibitors of tyrosyl-DNA phosphodiesterase 2 (TDP2).
Eur J Pharm Sci, 118, 2018
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5W2P
 | | Crystal structure of Mycobacterium tuberculosis KasA in complex with 6U5 | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 3-oxoacyl-[acyl-carrier-protein] synthase 1, GLYCEROL, ... | | Authors: | Capodagli, G.C, Neiditch, M.B. | | Deposit date: | 2017-06-06 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synergistic Lethality of a Binary Inhibitor of Mycobacterium tuberculosis KasA.
MBio, 9, 2018
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8F86
 | | SIRT6 bound to an H3K9Ac nucleosome | | Descriptor: | DNA (148-MER), Histone H2A type 1, Histone H2B, ... | | Authors: | Markert, J, Whedon, S, Wang, Z, Cole, P, Farnung, L. | | Deposit date: | 2022-11-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural Basis of Sirtuin 6-Catalyzed Nucleosome Deacetylation.
J.Am.Chem.Soc., 145, 2023
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