8HWT
 
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7ZUC
 | | Human Major Histocompatibility Complex A2 allele presenting LLLGIGILV | | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, LEU-LEU-LEU-GLY-ILE-GLY-ILE-LEU-VAL, ... | | 著者 | Rizkallah, P.J, Wall, A, Sewell, A.K, Fuller, A. | | 登録日 | 2022-05-12 | | 公開日 | 2023-05-24 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | | 主引用文献 | Targeting of multiple tumor-associated antigens by individual T cell receptors during successful cancer immunotherapy.
Cell, 186, 2023
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7ZUO
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6PXX
 | | Class D beta-lactamase in complex with beta-lactam antibiotic | | 分子名称: | (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)meth yl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | van den Akker, F, Kumar, V. | | 登録日 | 2019-07-28 | | 公開日 | 2019-10-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural Analysis of The OXA-48 Carbapenemase Bound to A "Poor" Carbapenem Substrate, Doripenem.
Antibiotics, 8, 2019
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6GL5
 | | Crystal Structure of dimethylated RSL - sulfonatocalix[4]arene complex | | 分子名称: | 1,2-ETHANEDIOL, 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Guagnini, F, Rennie, M.L, Crowley, P.B. | | 登録日 | 2018-05-23 | | 公開日 | 2019-06-19 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Protein Crystallization via Sulfonatocalix[4]arene Dimethylammonium Complexation
To Be Published
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6Q0A
 | | Crystal structure of MurA from Clostridium difficile, mutation C116D, n the presence of UDP-N-acetylmuramic acid | | 分子名称: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid, 1,2-ETHANEDIOL, UDP-N-acetylglucosamine 1-carboxyvinyltransferase | | 著者 | Dopkins, B.J, Call, C.J, Thoden, J.B, Holden, H.M. | | 登録日 | 2019-08-01 | | 公開日 | 2019-11-27 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Crystal structure of MurA from Clostridium difficile, mutation C116D, n the presence of UDP-N-acetylmuramic acid
To Be Published
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7QTB
 | | S1 nuclease from Aspergillus oryzae in complex with cytidine-5'-monophosphate | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | 著者 | Adamkova, K, Koval, T, Kolenko, P, Oestergaard, L.H, Dohnalek, J. | | 登録日 | 2022-01-14 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (1.04 Å) | | 主引用文献 | Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite multiple lattice-translocation defects.
Acta Crystallogr D Struct Biol, 78, 2022
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7QTA
 | | S1 nuclease from Aspergillus oryzae in complex with uridine | | 分子名称: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nuclease S1, ... | | 著者 | Adamkova, K, Koval, T, Kolenko, P, Oestergaard, L.H, Dohnalek, J. | | 登録日 | 2022-01-14 | | 公開日 | 2022-11-09 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | Atomic resolution studies of S1 nuclease complexes reveal details of RNA interaction with the enzyme despite multiple lattice-translocation defects.
Acta Crystallogr D Struct Biol, 78, 2022
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9B4F
 | | Structure of human PSS1-P269S | | 分子名称: | CALCIUM ION, Phosphatidylserine synthase 1 | | 著者 | Long, T, Li, X. | | 登録日 | 2024-03-20 | | 公開日 | 2024-09-04 | | 最終更新日 | 2024-10-23 | | 実験手法 | ELECTRON MICROSCOPY (3.27 Å) | | 主引用文献 | Molecular insights into human phosphatidylserine synthase 1 reveal its inhibition promotes LDL uptake.
Cell, 187, 2024
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7AFZ
 | | L1 metallo-b-lactamase with compound EBL-1306 | | 分子名称: | 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | | 著者 | Hinchliffe, P, Spencer, J, Brem, J. | | 登録日 | 2020-09-21 | | 公開日 | 2021-10-06 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Imitation of beta-lactam binding enables broad-spectrum metallo-beta-lactamase inhibitors.
Nat.Chem., 14, 2022
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8HVC
 | | Crystal structure of lacto-N-biosidase StrLNBase from Streptomyces sp. strain 142, galacto-N-biose complex 1 | | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, Lacto-N-biosidase, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose | | 著者 | Fushinobu, S, Yamada, C, Fujio, N. | | 登録日 | 2022-12-26 | | 公開日 | 2023-12-27 | | 最終更新日 | 2025-07-09 | | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | | 主引用文献 | Crystal Structure of Glycoside Hydrolase Family 20 Lacto- N -biosidase from Soil Bacterium Streptomyces sp. Strain 142.
J Appl Glycosci (1999), 72, 2025
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4MI8
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8RFO
 | | Low pH (pH 5.5) nitrite-bound MSOX movie series dataset 2 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [1.22 MGy] - nitrite intermediate | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ... | | 著者 | Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S. | | 登録日 | 2023-12-13 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.19 Å) | | 主引用文献 | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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7QRC
 | | X-ray structure of Trypanosoma cruzi PEX14 in complex with a PEX5-PEX14 PPI inhibitor | | 分子名称: | GLYCEROL, Peroxin-14, ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide | | 著者 | Napolitano, V, Popowicz, G.M, Dawidowski, M, Dubin, G. | | 登録日 | 2022-01-10 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2.18 Å) | | 主引用文献 | Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma.
Eur.J.Med.Chem., 243, 2022
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7Q9X
 | | Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct | | 分子名称: | (3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Isupov, M.N, Mitchell, D, Sayer, C, Littlechild, J.A. | | 登録日 | 2021-11-15 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Aminotransferase from Chromobacterium violaceum in complex with PLP-pyruvate adduct.
To Be Published
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8RFP
 | | Low pH (5.5) nitrite-bound MSOX movie series dataset 3 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [1.83 MGy] - nitrite/NO intermediate | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, NITRIC OXIDE, ... | | 著者 | Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S. | | 登録日 | 2023-12-13 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | | 主引用文献 | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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8FWH
 | | Crystal structure of bivalent antibody Fab fragment of Anti-human LAG3 (22D2) | | 分子名称: | 1,2-ETHANEDIOL, Anti-human LAG3 (22D2) heavy chain, Anti-human LAG3 (22D2) light chain | | 著者 | Mishra, A.K, Agnihotri, P, Mariuzza, R.A. | | 登録日 | 2023-01-22 | | 公開日 | 2023-09-06 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (2.833 Å) | | 主引用文献 | CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 determined using a bivalent Fab as fiducial marker.
Structure, 31, 2023
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9AYM
 | | Cryo-EM Structure of E.coli produced recombinant N-acetyltransferase 10 (NAT10) in complex with cytidine-acetone-CoA bisubstrate probe | | 分子名称: | RNA cytidine acetyltransferase, [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-[2-[3-[1-[(2~{R},3~{R},4~{R},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-pyrimidin-4-yl]sulfanyl-2-oxidanylidene-propyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate | | 著者 | Zhou, M, Marmorstein, R. | | 登録日 | 2024-03-08 | | 公開日 | 2024-09-11 | | 実験手法 | ELECTRON MICROSCOPY (3.29 Å) | | 主引用文献 | Molecular Basis for RNA Cytidine Acetylation by NAT10.
Biorxiv, 2024
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8RFL
 | | Low pH (5.5) nitrite-bound MSOX movie series dataset 1 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [0.61 MGy] - nitrite (start) | | 分子名称: | COPPER (II) ION, Copper-containing nitrite reductase, NITRITE ION, ... | | 著者 | Rose, S.L, Ferroni, F.M, Antonyuk, S.V, Eady, R.R, Hasnain, S.S. | | 登録日 | 2023-12-13 | | 公開日 | 2024-07-24 | | 最終更新日 | 2024-08-07 | | 実験手法 | X-RAY DIFFRACTION (1.16 Å) | | 主引用文献 | Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
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7Q9Z
 | | Crystal structure of Chromobacterium violaceum aminotransferase in complex with PLP-pyruvate adduct | | 分子名称: | (3E)-4-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-2-oxobut-3-enoic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Isupov, M.N, Mitchell, D, Sayer, C, Littlechild, J.A. | | 登録日 | 2021-11-15 | | 公開日 | 2022-11-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Aminotransferase from Chromobacterium violaceum in complex with PLP-pyruvate adduct.
To Be Published
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5EIR
 | | Co-crystal structure of eIF4E with nucleotide mimetic inhibitor. | | 分子名称: | Eukaryotic translation initiation factor 4 gamma 1, Eukaryotic translation initiation factor 4E, SULFATE ION, ... | | 著者 | Nowicki, M.W, Walkinshaw, M.D, Fischer, P.M. | | 登録日 | 2015-10-30 | | 公開日 | 2016-09-07 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Design of nucleotide-mimetic and non-nucleotide inhibitors of the translation initiation factor eIF4E: Synthesis, structural and functional characterisation.
Eur.J.Med.Chem., 124, 2016
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9B0I
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9D6H
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6QBA
 | | Crystal Structure of Retinol-Binding Protein 4 (RBP4) in complex with non-retinoid ligand A1120 and engineered binding scaffold | | 分子名称: | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Mlynek, G, Brey, C.U, Djinovic-Carugo, K, Puehringer, D. | | 登録日 | 2018-12-20 | | 公開日 | 2020-06-03 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A conformation-specific ON-switch for controlling CAR T cells with an orally available drug.
Proc.Natl.Acad.Sci.USA, 117, 2020
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7T1D
 | | Human SIRT2 in complex with small molecule 359 | | 分子名称: | 1,2-ETHANEDIOL, 7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline, DIMETHYL SULFOXIDE, ... | | 著者 | Kulp, J.L, Remiszewski, S, Todd, M, Chiang, L.W. | | 登録日 | 2021-12-01 | | 公開日 | 2023-05-17 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | An allosteric inhibitor of sirtuin 2 deacetylase activity exhibits broad-spectrum antiviral activity.
J.Clin.Invest., 133, 2023
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