7Q9B
| MHC Class I A02 Allele presenting EAAGIGILTV, in complex with Mel8 TCR | 分子名称: | 1,2-ETHANEDIOL, Beta-2-microglobulin, GLU-ALA-ALA-GLY-ILE-GLY-ILE-LEU-THR-VAL, ... | 著者 | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | 登録日 | 2021-11-12 | 公開日 | 2023-02-22 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (3.24 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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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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7LPT
| X-ray radiation damage series on Proteinase K at 277K, crystal structure, dataset 4 | 分子名称: | CALCIUM ION, Proteinase K, SULFATE ION | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-12 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.43 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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6Z5H
| Crystal structure of Aeromonas exotoxin A | 分子名称: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Exotoxin, ... | 著者 | Masuyer, G. | 登録日 | 2020-05-26 | 公開日 | 2020-06-24 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Crystal Structure of Exotoxin A from Aeromonas Pathogenic Species. Toxins, 12, 2020
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6HQ4
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7LQC
| X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 4 (merged) | 分子名称: | CALCIUM ION, Proteinase K, SULFATE ION | 著者 | Yabukarski, F, Doukov, T, Herschlag, D. | 登録日 | 2021-02-13 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.02 Å) | 主引用文献 | Evaluating the impact of X-ray damage on conformational heterogeneity in room-temperature (277 K) and cryo-cooled protein crystals. Acta Crystallogr D Struct Biol, 78, 2022
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6ZBA
| Crystal structure of PDE4D2 in complex with inhibitor LEO39652 | 分子名称: | 1,2-ETHANEDIOL, 2-methylpropyl 1-[8-methoxy-5-(1-oxidanylidene-3~{H}-2-benzofuran-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxylate, DIMETHYL SULFOXIDE, ... | 著者 | Akutsu, M, Hakansson, M, Welin, M, Svensson, A, Logan, D.T, Sorensen, M.D. | 登録日 | 2020-06-08 | 公開日 | 2020-09-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | Discovery and Early Clinical Development of Isobutyl 1-[8-Methoxy-5-(1-oxo-3 H -isobenzofuran-5-yl)-[1,2,4]triazolo[1,5- a ]pyridin-2-yl]cyclopropanecarboxylate (LEO 39652), a Novel "Dual-Soft" PDE4 Inhibitor for Topical Treatment of Atopic Dermatitis. J.Med.Chem., 63, 2020
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6D50
| Bacteroides uniforms beta-glucuronidase 2 bound to D-glucaro-1,5-lactone | 分子名称: | (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid, CALCIUM ION, Glycosyl hydrolases family 2, ... | 著者 | Walton, W.G, Pellock, S.J, Redinbo, M.R. | 登録日 | 2018-04-19 | 公開日 | 2018-10-17 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis. J. Biol. Chem., 293, 2018
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7LRX
| Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dCTP, and CA(2+) ion | 分子名称: | 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one, AMMONIUM ION, CALCIUM ION, ... | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | 登録日 | 2021-02-17 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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8BAY
| Crystal Structure of IDH1 variant R132C S280F in complex with NADPH, Ca2+ and 3-butyl-2-oxoglutarate | 分子名称: | (R)-3-butyl-2-oxopentanedioic acid, (S)-3-butyl-2-oxopentanedioic acid, CALCIUM ION, ... | 著者 | Rabe, P, Schofield, C.J, Reinbold, R, Brewitz, L. | 登録日 | 2022-10-12 | 公開日 | 2022-11-02 | 最終更新日 | 2024-02-07 | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | 主引用文献 | Natural and synthetic 2-oxoglutarate derivatives are substrates for oncogenic variants of human isocitrate dehydrogenase 1 and 2. J.Biol.Chem., 299, 2023
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6G35
| Crystal structure of haspin in complex with 5-bromotubercidin | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-bromotubercidin, BROMIDE ION, ... | 著者 | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-03-24 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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5HCD
| Ternary complex of human Complement C5 with Ornithodoros moubata OmCI and Rhipicephalus microplus RaCI2 | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Complement C5, ... | 著者 | Jore, M.M, Johnson, S, Lea, S.M. | 登録日 | 2016-01-04 | 公開日 | 2016-03-30 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.98 Å) | 主引用文献 | Structural basis for therapeutic inhibition of complement C5. Nat.Struct.Mol.Biol., 23, 2016
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6QTR
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7LSK
| Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dTTP, and CA(2+) ion | 分子名称: | 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, AMMONIUM ION, CALCIUM ION, ... | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | 登録日 | 2021-02-18 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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6G39
| Crystal structure of haspin F605Y mutant in complex with 5-iodotubercidin | 分子名称: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, IODIDE ION, ... | 著者 | Heroven, C, Chaikuad, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2018-03-24 | 公開日 | 2018-04-18 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | 主引用文献 | Halogen-Aromatic pi Interactions Modulate Inhibitor Residence Times. Angew. Chem. Int. Ed. Engl., 57, 2018
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7LW0
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5VUM
| Structure of rat neuronal nitric oxide synthase heme domain in complex with 7-(((3-(Pyridin-3-yl)propyl)amino)methyl)quinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-, ACETATE ION, ... | 著者 | Li, H, Poulos, T.L. | 登録日 | 2017-05-19 | 公開日 | 2017-08-16 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | 主引用文献 | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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6Z84
| CK2 alpha bound to chemical probe SGC-CK2-1 derivative | 分子名称: | Casein kinase II subunit alpha, SULFATE ION, ~{N}-[1-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]indol-6-yl]ethanamide | 著者 | Kraemer, A, Wells, C, Drewry, D.H, Pickett, J.E, Axtman, A.D, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2020-06-02 | 公開日 | 2020-07-29 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Development of a potent and selective chemical probe for the pleiotropic kinase CK2. Cell Chem Biol, 28, 2021
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6HXL
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6FY4
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6DAY
| Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid at 1.65 A | 分子名称: | 4-AMINOBENZOIC ACID, Dihydropteroate synthase, GLYCEROL, ... | 著者 | Oliveira, A.A, Guido, R.V.C, Lima, G.M.A, Bueno, R.V, Maluf, F.V. | 登録日 | 2018-05-02 | 公開日 | 2018-06-06 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | 主引用文献 | Xanthomonas albilineans Dihydropteroate synthase with 4-aminobenzoic acid To Be Published
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6G3F
| Crystal structure of EDDS lyase in complex with fumarate | 分子名称: | Argininosuccinate lyase, DI(HYDROXYETHYL)ETHER, FUMARIC ACID | 著者 | Poddar, H, Thunnissem, A.M.W.H, Poelarends, G.J. | 登録日 | 2018-03-25 | 公開日 | 2018-05-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.222 Å) | 主引用文献 | Structural Basis for the Catalytic Mechanism of Ethylenediamine- N, N'-disuccinic Acid Lyase, a Carbon-Nitrogen Bond-Forming Enzyme with a Broad Substrate Scope. Biochemistry, 57, 2018
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5VUX
| Structure of human neuronal nitric oxide synthase heme domain in complex with 7-(((4-(Dimethylamino)benzyl)amino)methyl)quinolin-2-amine | 分子名称: | 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine, Nitric oxide synthase, ... | 著者 | Huiying, L, Thomas, L.P. | 登録日 | 2017-05-19 | 公開日 | 2017-08-23 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Hydrophilic, Potent, and Selective 7-Substituted 2-Aminoquinolines as Improved Human Neuronal Nitric Oxide Synthase Inhibitors. J. Med. Chem., 60, 2017
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6Z8A
| Outer membrane FoxA in complex with nocardamine | 分子名称: | (8E)-6,17,28-trihydroxy-1,6,12,17,23,28-hexaazacyclotritriacont-8-ene-2,5,13,16,24,27-hexone, DIMETHYL SULFOXIDE, FE (III) ION, ... | 著者 | Josts, I, Tidow, H. | 登録日 | 2020-06-02 | 公開日 | 2020-11-25 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Nocardamine-Dependent Iron Uptake in Pseudomonas aeruginosa : Exclusive Involvement of the FoxA Outer Membrane Transporter. Acs Chem.Biol., 15, 2020
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8BBM
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