4HVV
 
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5L2I
 | | The X-ray co-crystal structure of human CDK6 and Palbociclib. | | 分子名称: | 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-[(5-PIPERAZIN-1-YLPYRIDIN-2-YL)AMINO]PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE, Cyclin-dependent kinase 6 | | 著者 | Chen, P, Ferre, R.A, Deihl, W, Yu, X, He, Y.-A. | | 登録日 | 2016-08-01 | | 公開日 | 2016-08-24 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Spectrum and Degree of CDK Drug Interactions Predicts Clinical Performance.
Mol.Cancer Ther., 15, 2016
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6CXV
 | | Structure of the S167H mutant of human indoleamine 2,3 dioxygenase in complex with tryptophan and cyanide | | 分子名称: | 2-(1H-indol-3-yl)ethanol, CYANIDE ION, Indoleamine 2,3-dioxygenase 1, ... | | 著者 | Lewis-Ballester, A, Yeh, S.-R, Karkashon, S, Batabyal, D, Poulos, T.L. | | 登録日 | 2018-04-04 | | 公開日 | 2018-06-27 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | Inhibition Mechanisms of Human Indoleamine 2,3 Dioxygenase 1.
J. Am. Chem. Soc., 140, 2018
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4NYX
 | | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand | | 分子名称: | (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide, CREB-binding protein | | 著者 | Filippakopoulos, P, Picaud, S, Felletar, I, Rooney, T.P.C, Fedorov, O, Martin, S, Monteiro, O.P, Conway, S.J, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | | 登録日 | 2013-12-11 | | 公開日 | 2014-01-29 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.1 Å) | | 主引用文献 | Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand
TO BE PUBLISHED
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4X9V
 | | PLK-1 polo-box domain in complex with Bioactive Imidazolium-containing phosphopeptide macrocycle 3C | | 分子名称: | Phosphopeptide macrocycle 3C, Serine/threonine-protein kinase PLK1 | | 著者 | Grant, R.A, Qian, W.-J, Yaffe, M.B, Burke, T.R. | | 登録日 | 2014-12-11 | | 公開日 | 2015-07-29 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.429 Å) | | 主引用文献 | Neighbor-directed histidine N ( tau )-alkylation: A route to imidazolium-containing phosphopeptide macrocycles.
Biopolymers, 104, 2015
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7KWS
 | | Cj1441 with NAD+ and UDP-glucose | | 分子名称: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 6-dehydrogenase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | 著者 | Riegert, A.S, Raushel, F.M. | | 登録日 | 2020-12-02 | | 公開日 | 2021-01-13 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | | 主引用文献 | Functional and Structural Characterization of the UDP-Glucose Dehydrogenase Involved in Capsular Polysaccharide Biosynthesis from Campylobacter jejuni .
Biochemistry, 60, 2021
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7KY5
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf2-Lem3 complex in the E2P transition state | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alkylphosphocholine resistance protein LEM3, CHOLESTEROL, ... | | 著者 | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | | 登録日 | 2020-12-07 | | 公開日 | 2021-01-06 | | 最終更新日 | 2024-10-16 | | 実験手法 | ELECTRON MICROSCOPY (3.98 Å) | | 主引用文献 | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
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6D0I
 | | ParT: Prs ADP-ribosylating toxin bound to cognate antitoxin ParS. L48M ParT, SeMet-substituted complex. | | 分子名称: | GLYCEROL, ParS: COG5642 (DUF2384) antitoxin fragment, ParT: COG5654 (RES domain) toxin | | 著者 | Piscotta, F.J, Jeffrey, P.D, Link, A.J. | | 登録日 | 2018-04-10 | | 公開日 | 2019-01-09 | | 最終更新日 | 2019-01-23 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | ParST is a widespread toxin-antitoxin module that targets nucleotide metabolism.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7KYB
 | | Structure of the S. cerevisiae phosphatidylcholine flippase Dnf1-Lem3 complex in the E1-ADP state | | 分子名称: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Bai, L, You, Q, Jain, B.K, Duan, H.D, Kovach, A, Graham, T.R, Li, H. | | 登録日 | 2020-12-07 | | 公開日 | 2021-01-06 | | 実験手法 | ELECTRON MICROSCOPY (3.2 Å) | | 主引用文献 | Transport mechanism of P4 ATPase phosphatidylcholine flippases.
Elife, 9, 2020
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6TMH
 | | Cryo-EM structure of Toxoplasma gondii mitochondrial ATP synthase dimer, OSCP/F1/c-ring model | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase subunit alpha,subunit alpha, ... | | 著者 | Muhleip, A, Kock Flygaard, R, Amunts, A. | | 登録日 | 2019-12-04 | | 公開日 | 2020-12-16 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | ATP synthase hexamer assemblies shape cristae of Toxoplasma mitochondria.
Nat Commun, 12, 2021
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6D17
 | | Crystal structure of KPC-2 complexed with compound 3 | | 分子名称: | Carbapenem-hydrolyzing beta-lactamase KPC, GLYCEROL, [(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid | | 著者 | Pemberton, O.A, Chen, Y. | | 登録日 | 2018-04-11 | | 公開日 | 2019-04-17 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
J.Med.Chem., 62, 2019
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6TNG
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4I22
 | | Structure of the monomeric (V948R)gefitinib/erlotinib resistant double mutant (L858R+T790M) EGFR kinase domain co-crystallized with gefitinib | | 分子名称: | Epidermal growth factor receptor, Gefitinib, SULFATE ION | | 著者 | Gajiwala, K.S, Feng, J, Ferre, R, Ryan, K, Brodsky, O, Stewart, A. | | 登録日 | 2012-11-21 | | 公開日 | 2013-01-16 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Insights into the Aberrant Activity of Mutant EGFR Kinase Domain and Drug Recognition.
Structure, 21, 2013
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4RXM
 | | Crystal structure of periplasmic ABC transporter solute binding protein A7JW62 from Mannheimia haemolytica PHL213, Target EFI-511105, in complex with Myo-inositol | | 分子名称: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, ASPARTIC ACID, CHLORIDE ION, ... | | 著者 | Patskovsky, Y, Toro, R, Bhosle, R, Al Obaidi, N, Morisco, L.L, Wasserman, S.R, Chamala, S, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Lafleur, J, Hillerich, B, Siedel, R.D, Love, J, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | 登録日 | 2014-12-11 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Crystal structure of solute binding sugar transporter A7JW62 from Mannheimia haemolytica, Target EFI-511105.
To be Published
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5VC1
 | | Crystal structure of L-selectin lectin/EGF domains | | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | 著者 | Wedepohl, S, Dernedde, J, Vahedi-Faridi, A, Tauber, R, Saenger, W, Bulut, H. | | 登録日 | 2017-03-30 | | 公開日 | 2017-06-14 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.94 Å) | | 主引用文献 | Reducing Macro- and Microheterogeneity of N-Glycans Enables the Crystal Structure of the Lectin and EGF-Like Domains of Human L-Selectin To Be Solved at 1.9 angstrom Resolution.
Chembiochem, 18, 2017
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2Q4U
 | | Ensemble refinement of the crystal structure of an EF-hand protein from Danio rerio Dr.36843 | | 分子名称: | Protein Zgc:100843 | | 著者 | Levin, E.J, Kondrashov, D.A, Wesenberg, G.E, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | 登録日 | 2007-05-31 | | 公開日 | 2007-06-19 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Ensemble refinement of protein crystal structures: validation and application.
Structure, 15, 2007
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5L4Z
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8W3V
 | | Crystal structure of human WDR41 | | 分子名称: | WD repeat-containing protein 41 | | 著者 | Hutchinson, A, Dong, A, Li, Y, Seitova, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | | 登録日 | 2024-02-22 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Crystal structure of human WDR41
To be published
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8VXY
 | | Structure of HamA(E138A,K140A)B-plasmid DNA complex from the Escherichia coli Hachiman defense system | | 分子名称: | ADENOSINE-5'-TRIPHOSPHATE, HamA, HamB, ... | | 著者 | Tuck, O.T, Hu, J.J, Doudna, J.A. | | 登録日 | 2024-02-06 | | 公開日 | 2024-03-13 | | 最終更新日 | 2024-03-20 | | 実験手法 | ELECTRON MICROSCOPY (3.19 Å) | | 主引用文献 | Hachiman is a genome integrity sensor.
Biorxiv, 2024
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6NBG
 | | 2.05 Angstrom Resolution Crystal Structure of Hypothetical Protein KP1_5497 from Klebsiella pneumoniae. | | 分子名称: | CHLORIDE ION, Glucosamine-6-phosphate deaminase, PHOSPHATE ION | | 著者 | Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-12-07 | | 公開日 | 2018-12-19 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | A Structural Systems Biology Approach to High-Risk CG23 Klebsiella pneumoniae.
Microbiol Resour Announc, 12, 2023
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6NBY
 | | T.elongatus NDH (composite model) | | 分子名称: | IRON/SULFUR CLUSTER, NAD(P)H-quinone oxidoreductase chain 4 1, NAD(P)H-quinone oxidoreductase subunit 1, ... | | 著者 | Laughlin, T.G, Bayne, A, Trempe, J.-F, Savage, D.F, Davies, K.M. | | 登録日 | 2018-12-10 | | 公開日 | 2019-02-27 | | 最終更新日 | 2020-04-15 | | 実験手法 | ELECTRON MICROSCOPY (3.1 Å) | | 主引用文献 | Structure of the complex I-like molecule NDH of oxygenic photosynthesis.
Nature, 566, 2019
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8VXA
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8WM0
 | | Crystal structure of TNIK-thiopeptide wTP3 complex | | 分子名称: | ADENOSINE, THIOPEPTIDE wTP3, TRAF2 and NCK-interacting protein kinase | | 著者 | Hamada, K, Kobayashi, S, Vinogradov, A.A, Zhang, Y, Goto, Y, Suga, H, Ogata, K, Sengoku, T. | | 登録日 | 2023-10-01 | | 公開日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | A Compact Reprogrammed Genetic Code for De Novo Discovery of Proteolytically Stable Thiopeptides.
J.Am.Chem.Soc., 2024
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4I60
 | | Crystal structure of avidin - biotinylruthenocene complex | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Avidin, [(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium | | 著者 | Strzelczyk, P, Bujacz, A, Bujacz, G. | | 登録日 | 2012-11-29 | | 公開日 | 2013-08-14 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Structural investigation of the interactions of biotinylruthenocene with avidin.
Chem.Biol.Interact, 204, 2013
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6CUV
 | | Engineered Holo TrpB from Pyrococcus furiosus, PfTrpB7E6 | | 分子名称: | PHOSPHATE ION, SODIUM ION, Tryptophan synthase beta chain 1 | | 著者 | Scheele, R.A, Buller, A.R, Boville, C.E, Arnold, F.H. | | 登録日 | 2018-03-26 | | 公開日 | 2018-09-26 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Engineered Biosynthesis of beta-Alkyl Tryptophan Analogues.
Angew. Chem. Int. Ed. Engl., 57, 2018
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