8P64
 
 | | Co-crystal structure of PD-L1 with low molecular weight inhibitor | | 分子名称: | Programmed cell death 1 ligand 1, ~{N}-[[1-[(~{E})-2-(2-methyl-3-phenyl-phenyl)ethenyl]-1,2,3,4-tetrazol-5-yl]methyl]ethanamine | | 著者 | Plewka, J, Magiera-Mularz, K, van der Straat, R, Draijer, R, Surmiak, E, Butera, R, Land, L, Musielak, B, Domling, A. | | 登録日 | 2023-05-25 | | 公開日 | 2024-03-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.312 Å) | | 主引用文献 | 1,5-Disubstituted tetrazoles as PD-1/PD-L1 antagonists.
Rsc Med Chem, 15, 2024
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7DM2
 | | crystal structure of the M. tuberculosis phosphate ABC transport receptor PstS-1 in complex with Fab p4-170 | | 分子名称: | PHOSPHATE ION, Phosphate-binding protein PstS 1, heavy chain, ... | | 著者 | Ma, B, Freund, N, Xiang, Y. | | 登録日 | 2020-12-01 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Human antibodies targeting a Mycobacterium transporter protein mediate protection against tuberculosis.
Nat Commun, 12, 2021
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5L2B
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6MJB
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5FJQ
 | | Structural and functional analysis of a lytic polysaccharide monooxygenase important for efficient utilization of chitin in Cellvibrio japonicus | | 分子名称: | CARBOHYDRATE BINDING PROTEIN, PUTATIVE, CPB33A, ... | | 著者 | Forsberg, Z, Nelson, C.E, Dalhus, B, Mekasha, S, Loose, J.S.M, Rohr, A.K, Eijsink, V.G.H, Gardner, J.G, Vaaje-Kolstad, G. | | 登録日 | 2015-10-12 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Structural and Functional Analysis of a Lytic Polysaccharide Monooxygenase Important for Efficient Utilization of Chitin in Cellvibrio Japonicus
J.Biol.Chem., 291, 2016
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5DUU
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6GBR
 | | Crystal Structure of the oligomerization domain of VP35 from Reston virus, mercury derivative | | 分子名称: | MERCURIBENZOIC ACID, Polymerase cofactor VP35 | | 著者 | Zinzula, L, Nagy, I, Orsini, M, Weyher-Stingl, E, Baumeister, W, Bracher, A. | | 登録日 | 2018-04-16 | | 公開日 | 2018-10-10 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Structures of Ebola and Reston Virus VP35 Oligomerization Domains and Comparative Biophysical Characterization in All Ebolavirus Species.
Structure, 27, 2019
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5L7X
 | | Afamin antibody fragment, N14 Fab, L1- glycosylated, crystal form II | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Mouse Antibody Fab Fragment, ... | | 著者 | Rupp, B, Naschberger, A. | | 登録日 | 2016-06-04 | | 公開日 | 2016-07-13 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.86 Å) | | 主引用文献 | The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
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5TTW
 | | Crystal Structure of EED in Complex with UNC4859 | | 分子名称: | Polycomb protein EED, SULFATE ION, UNC4859, ... | | 著者 | The, J, Barnash, K.D, Brown, P.J, Edwards, A.M, Bountra, C, Frye, S.V, James, L.I, Arrowsmith, C.H. | | 登録日 | 2016-11-04 | | 公開日 | 2017-01-11 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.74 Å) | | 主引用文献 | Discovery of Peptidomimetic Ligands of EED as Allosteric Inhibitors of PRC2.
ACS Comb Sci, 19, 2017
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6YKO
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11a | | 分子名称: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | 著者 | Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2020-04-06 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.21 Å) | | 主引用文献 | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
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5L89
 | | Crystal structure of Rhodospirillum rubrum Rru_A0973 mutant E32A | | 分子名称: | CALCIUM ION, Rru_A0973 | | 著者 | He, D, Hughes, S, Vanden-Hehir, S, Georgiev, A, Altenbach, K, Tarrant, E, Mackay, C.L, Waldron, K.J, Clarke, D.J, Marles-Wright, J. | | 登録日 | 2016-06-07 | | 公開日 | 2016-08-31 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Structural characterization of encapsulated ferritin provides insight into iron storage in bacterial nanocompartments.
Elife, 5, 2016
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7DSF
 | | The Crystal Structure of human SPR from Biortus. | | 分子名称: | ACETATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Sepiapterin reductase, ... | | 著者 | Wang, F, Lv, Z, Cheng, W, Lin, D, Meng, Q, Zhang, B, Huang, Y. | | 登録日 | 2020-12-31 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | The Crystal Structure of human SPR from Biortus.
To Be Published
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6G5G
 | | Crystal structure of an engineered Botulinum Neurotoxin type B mutant E1191M/S1199Y in complex with human synaptotagmin 2 | | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | | 著者 | Masuyer, G, Elliot, M, Favre-Guilmard, C, Liu, S.M, Maignel, J, Beard, M, Carre, D, Kalinichev, M, Lezmi, S, Mir, I, Nicoleau, C, Palan, S, Perier, C, Raban, E, Dong, M, Krupp, J, Stenmark, P. | | 登録日 | 2018-03-29 | | 公開日 | 2019-01-16 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Engineered botulinum neurotoxin B with improved binding to human receptors has enhanced efficacy in preclinical models.
Sci Adv, 5, 2019
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5TUQ
 | | Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase | | 分子名称: | 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION | | 著者 | Kirby, K.A, Sarafianos, S.G. | | 登録日 | 2016-11-07 | | 公開日 | 2017-06-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.705 Å) | | 主引用文献 | 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase.
Eur J Med Chem, 128, 2017
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6Y18
 | | Ternary complex of 14-3-3 sigma (C38N), Estrogen Related Receptor gamma (DBD) phosphopeptide, and disulfide PPI stabilizer 3 | | 分子名称: | 14-3-3 protein sigma, 4-fluoranyl-~{N}-methyl-~{N}-(2-sulfanylethyl)benzamide, CHLORIDE ION, ... | | 著者 | Somsen, B.A, Ottmann, C. | | 登録日 | 2020-02-11 | | 公開日 | 2020-11-18 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Fluorescence Anisotropy-Based Tethering for Discovery of Protein-Protein Interaction Stabilizers.
Acs Chem.Biol., 15, 2020
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5TVD
 | | Crystal structure of Tm16 | | 分子名称: | Tm16 | | 著者 | Asojo, O.A. | | 登録日 | 2016-11-08 | | 公開日 | 2017-08-30 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.734 Å) | | 主引用文献 | Identification, Characterization, and Structure of Tm16 from Trichuris muris.
J Parasitol Res, 2017, 2017
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6MK6
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5L3K
 | | Structure of Mycobacterium thermoresistibile trehalose-6-phosphate synthase in a ternary complex with ADP and fructose-6-phosphate | | 分子名称: | 1,2-ETHANEDIOL, 6-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-DIPHOSPHATE, ... | | 著者 | Mendes, V, Verma, N, Blaszczyk, M, Blundell, T.L. | | 登録日 | 2016-05-23 | | 公開日 | 2017-06-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.305 Å) | | 主引用文献 | Mycobacterial OtsA Structures Unveil Substrate Preference Mechanism and Allosteric Regulation by 2-Oxoglutarate and 2-Phosphoglycerate.
Mbio, 10, 2019
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6YKY
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8ODP
 | | Structure of human RTCB with GMPCPP in complex with Archease | | 分子名称: | MANGANESE (II) ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER, Protein archease, ... | | 著者 | Kopp, J, Gerber, J.L, Peschek, J. | | 登録日 | 2023-03-09 | | 公開日 | 2024-03-27 | | 最終更新日 | 2024-04-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and mechanistic insights into activation of the human RNA ligase RTCB by Archease.
Nat Commun, 15, 2024
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5L56
 | | Plexin A1 full extracellular region, domains 1 to 10, to 4 angstrom | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-A1, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Janssen, B.J.C, Kong, Y, Malinauskas, T, Vangoor, V.R, Coles, C.H, Kaufmann, R, Ni, T, Gilbert, R.J.C, Padilla-Parra, S, Pasterkamp, R.J, Jones, E.Y. | | 登録日 | 2016-05-28 | | 公開日 | 2016-07-06 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (4 Å) | | 主引用文献 | Structural Basis for Plexin Activation and Regulation.
Neuron, 91, 2016
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6GES
 | | Crystal structure of ERK1 covalently bound to SM1-71 | | 分子名称: | 1,2-ETHANEDIOL, Mitogen-activated protein kinase 3, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide, ... | | 著者 | Chaikuad, A, Suman, R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2018-04-27 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Leveraging Compound Promiscuity to Identify Targetable Cysteines within the Kinome.
Cell Chem Biol, 26, 2019
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5L9Y
 | | Crystal structure of human heparanase, in complex with glucuronic acid configured aziridine probe JJB355 | | 分子名称: | (1~{S},2~{R},3~{S},4~{S},5~{S},6~{R})-2-(8-azidooctylamino)-3,4,5,6-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Wu, L, Jin, Y, Davies, G.J. | | 登録日 | 2016-06-13 | | 公開日 | 2017-05-31 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Activity-based probes for functional interrogation of retaining beta-glucuronidases.
Nat. Chem. Biol., 13, 2017
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5HUD
 | | Non-covalent complex of and DAHP synthase and chorismate mutase from Corynebacterium glutamicum with bound transition state analog | | 分子名称: | 3-Deoxy-D-arabino-heptulosonate 7-phosphate (DAHP) synthase, 8-HYDROXY-2-OXA-BICYCLO[3.3.1]NON-6-ENE-3,5-DICARBOXYLIC ACID, Chorismate mutase, ... | | 著者 | Burschowsky, D, Heim, J.B, Thorbjoernsrud, H.V, Krengel, U. | | 登録日 | 2016-01-27 | | 公開日 | 2017-08-02 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Inter-Enzyme Allosteric Regulation of Chorismate Mutase in Corynebacterium glutamicum: Structural Basis of Feedback Activation by Trp.
Biochemistry, 57, 2018
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5HPR
 | | Insulin with proline analog HyP at position B28 in the T2 state | | 分子名称: | GLYCEROL, Insulin A-Chain, Insulin B-Chain, ... | | 著者 | Lieblich, S.A, Fang, K.Y, Cahn, J.K.B, Tirrell, D.A. | | 登録日 | 2016-01-21 | | 公開日 | 2017-01-25 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.33 Å) | | 主引用文献 | 4S-Hydroxylation of Insulin at ProB28 Accelerates Hexamer Dissociation and Delays Fibrillation.
J. Am. Chem. Soc., 139, 2017
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