8AOL
 
 | | Crystal structure of S-layer protein SlpX from Lactobacillus acidophilus, domain III (aa 363-499) | | 分子名称: | ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Sagmeister, T, Damisch, E, Eder, M, Dordic, A, Vejzovic, D, Pavkov-Keller, T. | | 登録日 | 2022-08-08 | | 公開日 | 2023-08-23 | | 最終更新日 | 2024-06-19 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The molecular architecture of Lactobacillus S-layer: Assembly and attachment to teichoic acids.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8GPW
 | | Structure of Penicillin-binding protein 3 (PBP3) from Klebsiella pneumoniae with ligand 18G | | 分子名称: | 1-[(~{Z})-[1-(2-azanyl-1,3-thiazol-4-yl)-2-[[(2~{S})-3-methyl-1-oxidanylidene-3-(sulfooxyamino)butan-2-yl]amino]-2-oxidanylidene-ethylidene]amino]oxycyclopropane-1-carboxylic acid, Peptidoglycan D,D-transpeptidase FtsI | | 著者 | Song, D.Q, Li, Y.H. | | 登録日 | 2022-08-27 | | 公開日 | 2022-11-02 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | Structure of Penicillin-binding protein 3 (PBP3) from Klebsiella pneumoniae with ligand 18G at 2.06 Angstroms resolution
To Be Published
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8J78
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7MGV
 | | Chryseobacterium gregarium RiPP-associated ATP-grasp ligase in complex with ADP, and a leader and core peptide | | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, CdnA3 Core peptide, CdnA3 Leader peptide, ... | | 著者 | Bewley, C.A, Zhao, G, Kosek, D, Dyda, F. | | 登録日 | 2021-04-13 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.44 Å) | | 主引用文献 | Structural Basis for a Dual Function ATP Grasp Ligase That Installs Single and Bicyclic omega-Ester Macrocycles in a New Multicore RiPP Natural Product.
J.Am.Chem.Soc., 143, 2021
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6RSU
 | | TBK1 in complex with Inhibitor compound 35 | | 分子名称: | 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one, Serine/threonine-protein kinase TBK1 | | 著者 | Panne, D, Hillig, R.C, Rengachari, S. | | 登録日 | 2019-05-22 | | 公開日 | 2020-04-01 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020
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4ET9
 | | Hen egg-white lysozyme solved from 5 fs free-electron laser pulse data | | 分子名称: | CHLORIDE ION, Lysozyme C, SODIUM ION | | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | 登録日 | 2012-04-24 | | 公開日 | 2012-06-13 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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3LCM
 | | Crystal structure of Smu.1420 from Streptococcus mutans UA159 | | 分子名称: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative oxidoreductase | | 著者 | Wang, Z.X, Su, X.-D. | | 登録日 | 2010-01-11 | | 公開日 | 2011-01-12 | | 最終更新日 | 2023-11-01 | | 実験手法 | X-RAY DIFFRACTION (1.799 Å) | | 主引用文献 | Structural and biochemical characterization of MdaB from cariogenic Streptococcus mutans reveals an NADPH-specific quinone oxidoreductase
Acta Crystallogr.,Sect.D, 70, 2014
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6V9Q
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4ETD
 | | Lysozyme, room-temperature, rotating anode, 0.0026 MGy | | 分子名称: | CHLORIDE ION, Lysozyme C | | 著者 | Boutet, S, Lomb, L, Williams, G, Barends, T, Aquila, A, Doak, R.B, Weierstall, U, DePonte, D, Steinbrener, J, Shoeman, R, Messerschmidt, M, Barty, A, White, T, Kassemeyer, S, Kirian, R, Seibert, M, Montanez, P, Kenney, C, Herbst, R, Hart, P, Pines, J, Haller, G, Gruner, S, Philllip, H, Tate, M, Hromalik, M, Koerner, L, van Bakel, N, Morse, J, Ghonsalves, W, Arnlund, D, Bogan, M, Calemann, C, Fromme, R, Hampton, C, Hunter, M, Johansson, L, Katona, G, Kupitz, C, Liang, M, Martin, A, Nass, K, Redecke, L, Stellato, F, Timneanu, N, Wang, D, Zatsepin, N, Schafer, D, Defever, K, Neutze, R, Fromme, P, Spence, J, Chapman, H, Schlichting, I. | | 登録日 | 2012-04-24 | | 公開日 | 2012-06-13 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.904 Å) | | 主引用文献 | High-resolution protein structure determination by serial femtosecond crystallography.
Science, 337, 2012
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6ZP3
 | | Thioredoxin glutathione reductase from Schistosoma mansoni in complex with 2-Methylindole-3-acetic acid | | 分子名称: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 2-(2-methyl-1~{H}-indol-3-yl)ethanoic acid, CALCIUM ION, ... | | 著者 | Fata, F, Silvestri, I, Williams, D.L, Angelucci, F. | | 登録日 | 2020-07-08 | | 公開日 | 2021-05-19 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Probing the Surface of a Parasite Drug Target Thioredoxin Glutathione Reductase Using Small Molecule Fragments.
Acs Infect Dis., 7, 2021
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6PEF
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6PK6
 | | Human PRPF4B bound to benzothiophene inhibitor 329 | | 分子名称: | 4-(5-{[(2-aminophenyl)methyl]carbamoyl}thiophen-2-yl)-1-benzothiophene-2-carboxamide, SULFATE ION, Serine/threonine-protein kinase PRP4 homolog | | 著者 | Godoi, P.H.C, Santiago, A.S, Fala, A.M, Ramos, P.Z, Sriranganadane, D, Mascarello, A, Segretti, N, Azevedo, H, Guimaraes, C.R.W, Arruda, P, Elkins, J.M, Counago, R.M, Structural Genomics Consortium (SGC) | | 登録日 | 2019-06-28 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | to be published
To Be Published
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1A8L
 | | PROTEIN DISULFIDE OXIDOREDUCTASE FROM ARCHAEON PYROCOCCUS FURIOSUS | | 分子名称: | PROTEIN DISULFIDE OXIDOREDUCTASE, ZINC ION | | 著者 | Ren, B, Tibbelin, G, Pascale, D, Rossi, M, Bartolucci, S, Ladenstein, R. | | 登録日 | 1998-03-26 | | 公開日 | 1999-03-30 | | 最終更新日 | 2011-11-16 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | A protein disulfide oxidoreductase from the archaeon Pyrococcus furiosus contains two thioredoxin fold units.
Nat.Struct.Biol., 5, 1998
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5XP8
 | | Crystal structure of T. thermophilus Argonaute protein complexed with a bulge 4A5 on the guide strand | | 分子名称: | DNA (5'-D(*AP*GP*T)-3'), DNA (5'-D(*CP*AP*AP*CP*C*AP*TP*AP*CP*TP*AP*CP*CP*TP*CP*G)-3'), DNA (5'-D(P*TP*GP*AP*GP*AP*GP*TP*AP*GP*TP*AP*GP*GP*TP*TP*GP*T)-3'), ... | | 著者 | Sheng, G, Gogakos, T, Wang, J, Zhao, H, Serganov, A, Juranek, S, Tuschl, T, Patel, J.D, Wang, Y. | | 登録日 | 2017-06-01 | | 公開日 | 2018-04-18 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Structure/cleavage-based insights into helical perturbations at bulge sites within T. thermophilus Argonaute silencing complexes.
Nucleic Acids Res., 45, 2017
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6PBU
 | | ClpP1 from Mycobacterium smegmatis | | 分子名称: | ATP-dependent Clp protease proteolytic subunit, MALONATE ION | | 著者 | Heras, B, Nagpal, J, Dougan, D.A. | | 登録日 | 2019-06-14 | | 公開日 | 2019-12-18 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Molecular and structural insights into an asymmetric proteolytic complex (ClpP1P2) from Mycobacterium smegmatis.
Sci Rep, 9, 2019
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6M53
 | | Crystal structure of 2, 3-dihydroxybenzoic acid decarboxylase from Fusarium oxysporum | | 分子名称: | 2,3-dihydroxybenzoate decarboxylase, GLYCEROL, ZINC ION | | 著者 | Song, M.K, Feng, J.H, Liu, W.D, Wu, Q.Q, Zhu, D.M. | | 登録日 | 2020-03-09 | | 公開日 | 2020-07-15 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | 2,3-Dihydroxybenzoic Acid Decarboxylase from Fusarium oxysporum: Crystal Structures and Substrate Recognition Mechanism.
Chembiochem, 21, 2020
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1ADL
 | | ADIPOCYTE LIPID BINDING PROTEIN COMPLEXED WITH ARACHIDONIC ACID: X-RAY CRYSTALLOGRAPHIC AND TITRATION CALORIMETRY STUDIES | | 分子名称: | ADIPOCYTE LIPID-BINDING PROTEIN, ARACHIDONIC ACID, PROPANOIC ACID | | 著者 | Lalonde, J.M, Levenson, M, Roe, J.J, Bernlohr, D.A, Banaszak, L.J. | | 登録日 | 1994-03-25 | | 公開日 | 1994-12-20 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Adipocyte lipid-binding protein complexed with arachidonic acid. Titration calorimetry and X-ray crystallographic studies.
J.Biol.Chem., 269, 1994
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8JCR
 | | Crystal structure of Procerain from Calotropis gigantea (pH 6.0) | | 分子名称: | BETA-MERCAPTOETHANOL, GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ... | | 著者 | Kumar, A, Jamdar, S.N, Srivastava, G, Makde, R.D. | | 登録日 | 2023-05-11 | | 公開日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal structure of Procerain from Calotropis gigantea
To Be Published
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7M60
 | | Structure of Mouse Importin alpha MLH1-S467A NLS Peptide Complex | | 分子名称: | DNA mismatch repair protein Mlh1 NLS peptide, Importin subunit alpha-1 | | 著者 | De Oliveira, H.C, Da Silva, T.D, Fukuda, C.A, Fontes, M.R.M. | | 登録日 | 2021-03-25 | | 公開日 | 2021-07-07 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural and calorimetric studies reveal specific determinants for the binding of a high-affinity NLS to mammalian importin-alpha.
Biochem.J., 478, 2021
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8JCQ
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8JCS
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6P05
 | | Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with compound 27 | | 分子名称: | Bromodomain-containing protein 4, GLYCEROL, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | | 著者 | Ratia, K.M, Xiong, R, Li, Y, Zhao, J, Gutgesell, L.M, Shen, Z, Dye, K, Dubrovyskyii, O, Zhao, H, Huang, F, Tonetti, D.A, Thatcher, G.R. | | 登録日 | 2019-05-16 | | 公開日 | 2020-05-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.54 Å) | | 主引用文献 | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.
J.Med.Chem., 63, 2020
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6IS7
 | | Structure of 9N-I DNA polymerase incorporation with dA in the active site | | 分子名称: | CALCIUM ION, DNA (5'-D(*AP*CP*TP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*CP*G)-3'), DNA (5'-D(P*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*CP*CP*A)-3'), ... | | 著者 | Linwu, S.W, Maestre-Reyna, M, Tsai, M.D, Tu, Y.H, Chang, W.H. | | 登録日 | 2018-11-15 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | | 主引用文献 | Thermococcus sp. 9°N DNA polymerase exhibits 3'-esterase activity that can be harnessed for DNA sequencing.
Commun Biol, 2, 2019
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6ISH
 | | Structure of 9N-I DNA polymerase incorporation with 3'-AL in the active site | | 分子名称: | CALCIUM ION, DNA (5'-D(*AP*CP*TP*GP*GP*TP*AP*AP*GP*CP*AP*GP*TP*CP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*GP*AP*CP*TP*GP*CP*TP*TP*AP*CP*CP*(DAL))-3'), ... | | 著者 | Linwu, S.W, Maestre-Reyna, M, Tsai, M.D, Tu, Y.H, Chang, W.H. | | 登録日 | 2018-11-16 | | 公開日 | 2019-08-28 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Thermococcus sp. 9°N DNA polymerase exhibits 3'-esterase activity that can be harnessed for DNA sequencing.
Commun Biol, 2, 2019
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6RSR
 | | TBK1 in complex with compound 2 | | 分子名称: | Serine/threonine-protein kinase TBK1, ~{N}-(cyclopropen-1-ylmethyl)-2-[[4-[[4-[3,3,3-tris(fluoranyl)propanoyl]piperazin-1-yl]methyl]pyridin-2-yl]amino]-1~{H}-benzimidazole-5-carboxamide | | 著者 | Panne, D, Hillig, R.C, Rengachari, S. | | 登録日 | 2019-05-22 | | 公開日 | 2020-01-01 | | 最終更新日 | 2024-05-15 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Discovery of BAY-985, a Highly Selective TBK1/IKK epsilon Inhibitor.
J.Med.Chem., 63, 2020
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