8SJK
 
 | | Pembrolizumab Caffeine crystal | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY HEAVY CHAIN, ANTIBODY LIGHT CHAIN, ... | | 著者 | Larpent, P, Codan, L, Bothe, J.R, Stueber, D, Reichert, P, Fischmann, T, Su, Y, Pabit, S, Gupta, S, Iuzzolino, L, Cote, A. | | 登録日 | 2023-04-18 | | 公開日 | 2024-04-24 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | | 主引用文献 | Small-Angle X-ray Scattering as a Powerful Tool for Phase and Crystallinity Assessment of Monoclonal Antibody Crystallites in Support of Batch Crystallization.
Mol Pharm., 2024
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7Z1Z
 | | MVV strand transfer complex (STC) intasome in complex with LEDGF/p75 at 3.5 A resolution | | 分子名称: | DNA (37-MER), DNA (5'-D(*GP*CP*TP*GP*CP*GP*AP*GP*AP*TP*CP*CP*GP*CP*TP*CP*CP*GP*GP*TP*G)-3'), DNA (5'-D(P*TP*TP*GP*AP*TP*TP*AP*GP*GP*GP*TP*G)-3'), ... | | 著者 | Pye, V.E, Ballandras-Colas, A, Cherepanov, P. | | 登録日 | 2022-02-25 | | 公開日 | 2022-05-11 | | 最終更新日 | 2024-07-17 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Multivalent interactions essential for lentiviral integrase function.
Nat Commun, 13, 2022
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6MIE
 | | Solution NMR structure of the KCNQ1 voltage-sensing domain | | 分子名称: | Potassium voltage-gated channel subfamily KQT member 1 | | 著者 | Taylor, K.C, Kuenze, G, Smith, J.A, Meiler, J, McFeeters, R.L, Sanders, C.R. | | 登録日 | 2018-09-19 | | 公開日 | 2020-03-04 | | 最終更新日 | 2024-05-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structure and physiological function of the human KCNQ1 channel voltage sensor intermediate state.
Elife, 9, 2020
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8T6N
 | | Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles | | 分子名称: | T33-27.1 : A, T33-27.1 : B | | 著者 | Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. | | 登録日 | 2023-06-16 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (3.63 Å) | | 主引用文献 | Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6RN8
 | | RIP2 Kinase Catalytic Domain complex with 2(4[(1,3benzothiazol5yl)amino]6(2methylpropane2sulfonyl)quinazolin7yl)oxy)ethyl phosphate | | 分子名称: | 2-[4-(1,3-benzothiazol-5-ylamino)-6-~{tert}-butylsulfonyl-quinazolin-7-yl]oxyethyl dihydrogen phosphate, CALCIUM ION, Receptor-interacting serine/threonine-protein kinase 2 | | 著者 | Convery, M.A, Haile, P.A. | | 登録日 | 2019-05-08 | | 公開日 | 2019-07-17 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Discovery of a First-in-Class Receptor Interacting Protein 2 (RIP2) Kinase Specific Clinical Candidate, 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethyl Dihydrogen Phosphate, for the Treatment of Inflammatory Diseases.
J.Med.Chem., 62, 2019
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7SD2
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6MJW
 | | human cGAS catalytic domain bound with the inhibitor G150 | | 分子名称: | 1-[9-(6-aminopyridin-3-yl)-6,7-dichloro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one, Cyclic GMP-AMP synthase, ZINC ION | | 著者 | Lama, L, Adura, C, Xie, W, Tomita, D, Kamei, T, Kuryavyi, V, Gogakos, T, Steinberg, J.I, Miller, M, Ramos-Espiritu, L, Asano, Y, Hashizume, S, Aida, J, Imaeda, T, Okamoto, R, Jennings, A.J, Michinom, M, Kuroita, T, Stamford, A, Gao, P, Meinke, P, Glickman, J.F, Patel, D.J, Tuschl, T. | | 登録日 | 2018-09-23 | | 公開日 | 2019-05-29 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.405 Å) | | 主引用文献 | Development of human cGAS-specific small-molecule inhibitors for repression of dsDNA-triggered interferon expression.
Nat Commun, 10, 2019
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7AIA
 | | Complex of human GDAP1 with hexadecanedioic acid | | 分子名称: | ETHANOL, GLYCEROL, Ganglioside-induced differentiation-associated protein 1, ... | | 著者 | Nguyen, G.T.T, Sutinen, A, Kursula, P. | | 登録日 | 2020-09-26 | | 公開日 | 2021-02-24 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structure of the Complete Dimeric Human GDAP1 Core Domain Provides Insights into Ligand Binding and Clustering of Disease Mutations.
Front Mol Biosci, 7, 2020
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5M78
 | | Human Carbonic Anhydrase II in complex with fragment-like inhibitor. | | 分子名称: | 2-HYDROXYBENZOIC ACID, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Gloeckner, S, Heine, A, Klebe, G. | | 登録日 | 2016-10-27 | | 公開日 | 2017-12-20 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.077 Å) | | 主引用文献 | A Proof-of-Concept Fragment Screening of a Hit-Validated 96-Compounds Library against Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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6UUL
 | | Crystal structure of broad and potent HIV-1 neutralizing antibody 438-D5 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, D5 Fab Heavy Chain, ... | | 著者 | Kumar, S, Wilson, I.A. | | 登録日 | 2019-10-30 | | 公開日 | 2020-09-23 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | | 主引用文献 | A V H 1-69 antibody lineage from an infected Chinese donor potently neutralizes HIV-1 by targeting the V3 glycan supersite.
Sci Adv, 6, 2020
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5MKB
 | | Maltodextrin binding protein MalE1 from L. casei BL23 without ligand | | 分子名称: | MalE1 | | 著者 | Homburg, C, Bommer, M, Wuttge, S, Hobe, C, Beck, S, Dobbek, H, Deutscher, J, Licht, A, Schneider, E. | | 登録日 | 2016-12-03 | | 公開日 | 2017-07-05 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.698 Å) | | 主引用文献 | Inducer exclusion in Firmicutes: insights into the regulation of a carbohydrate ATP binding cassette transporter from Lactobacillus casei BL23 by the signal transducing protein P-Ser46-HPr.
Mol. Microbiol., 105, 2017
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6UX3
 | | Crystal structure of acetoin dehydrogenase from Enterobacter cloacae | | 分子名称: | Acetoin dehydrogenase, DI(HYDROXYETHYL)ETHER, GLYCEROL | | 著者 | Chang, C, Skarina, T, Mesa, N, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2019-11-06 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.198 Å) | | 主引用文献 | Crystal structure of acetoin dehydrogenase from Enterobacter cloacae
To Be Published
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7APN
 | | Structure of Lipase TL from bulk agarose grown crystal | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Lipase, ... | | 著者 | Gavira, J.A, Martinez-Rodriguez, S, Fernande-Penas, R, Verdugo-Escamilla, C. | | 登録日 | 2020-10-19 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Production of Cross-Linked Lipase Crystals at a Preparative Scale.
Cryst.Growth Des., 21, 2021
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7APP
 | | Structure of Lipase TL from capillary grown crystal in the presence of agarose | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FORMIC ACID, Lipase, ... | | 著者 | Gavira, J.A, Martinez-Rodriguez, S, Fernande-Penas, R, Verdugo-Escamilla, C. | | 登録日 | 2020-10-19 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Production of Cross-Linked Lipase Crystals at a Preparative Scale.
Cryst.Growth Des., 21, 2021
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5MMW
 | | Crystal structure of the Retinoid X Receptor alpha in complex with synthetic honokiol derivative 6 and a fragment of the TIF2 co-activator. | | 分子名称: | (~{E})-3-[3-(2-methyl-3-phenyl-phenyl)-4-oxidanyl-phenyl]prop-2-enoic acid, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Retinoic acid receptor RXR-alpha | | 著者 | Andrei, S.A, Brunsveld, L, Scheepstra, M, Ottmann, C. | | 登録日 | 2016-12-12 | | 公開日 | 2017-11-08 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Ligand Dependent Switch from RXR Homo- to RXR-NURR1 Heterodimerization.
ACS Chem Neurosci, 8, 2017
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5MN1
 | | Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 100 K) | | 分子名称: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | | 著者 | Schiebel, J, Heine, A, Klebe, G. | | 登録日 | 2016-12-12 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (0.79 Å) | | 主引用文献 | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5MAP
 | | X-ray generated oxyferrous complex of DtpA from Streptomyces lividans | | 分子名称: | DtpA, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE | | 著者 | Moreno Chicano, T, Chaplin, A.K, Worrall, J.A.R, Strange, R.W, Hough, M.A. | | 登録日 | 2016-11-04 | | 公開日 | 2017-05-10 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | | 主引用文献 | Photoreduction and validation of haem-ligand intermediate states in protein crystals by in situ single-crystal spectroscopy and diffraction.
IUCrJ, 4, 2017
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8CRL
 | | Crystal structure of LplA1 in complex with the inhibitor C3 (Listeria monocytogenes) | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ... | | 著者 | Dienemann, J.-N, Chen, S.-Y, Hitzenberger, M, Sievert, M.L, Hacker, S.M, Prigge, S.T, Zacharias, M, Groll, M, Sieber, S.A. | | 登録日 | 2023-03-08 | | 公開日 | 2023-06-07 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | A Chemical Proteomic Strategy Reveals Inhibitors of Lipoate Salvage in Bacteria and Parasites.
Angew.Chem.Int.Ed.Engl., 62, 2023
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5MNY
 | | Neutron structure of cationic trypsin in complex with aniline | | 分子名称: | CALCIUM ION, Cationic trypsin, phenylazanium | | 著者 | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | 登録日 | 2016-12-13 | | 公開日 | 2017-05-24 | | 最終更新日 | 2024-01-17 | | 実験手法 | NEUTRON DIFFRACTION (1.43 Å) | | 主引用文献 | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin.
Angew. Chem. Int. Ed. Engl., 56, 2017
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4XX6
 | | Crystal structure of a glycosylated endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Gloeophyllum trabeum | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-xylanase, ... | | 著者 | Stogios, P.J, Nocek, B, Xu, X, Cui, H, Lowden, M, Savchenko, A. | | 登録日 | 2015-01-29 | | 公開日 | 2015-02-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | Crystal structure of a glycosylated endo-beta-1,4-xylanase (glycoside hydrolase family 10/GH10) enzyme from Gloeophyllum trabeum.
To Be Published
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5JLV
 | | Receptor binding domain of Botulinum neurotoxin A in complex with human glycosylated SV2C | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | 著者 | Yao, G, Zhang, S, Mahrhold, S, Lam, K, Stern, D, Bagramyan, K, Perry, K, Kalkum, M, Rummel, A, Dong, M, Jin, R. | | 登録日 | 2016-04-27 | | 公開日 | 2016-06-15 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | N-linked glycosylation of SV2 is required for binding and uptake of botulinum neurotoxin A.
Nat.Struct.Mol.Biol., 23, 2016
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5JN8
 | | Crystal Structure for the complex of human carbonic anhydrase IV and acetazolamide | | 分子名称: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ACETATE ION, Carbonic anhydrase 4, ... | | 著者 | Chen, Z, Waheed, A, Di Cera, E, Sly, W.S. | | 登録日 | 2016-04-29 | | 公開日 | 2017-05-03 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Intrinsic thermodynamics of high affinity inhibitor binding to recombinant human carbonic anhydrase IV.
Eur. Biophys. J., 47, 2018
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4XYM
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6EXK
 | | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - unfolded HTH motif | | 分子名称: | ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION, ... | | 著者 | Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E. | | 登録日 | 2017-11-08 | | 公開日 | 2018-05-02 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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7SMG
 | | Crystal structure of a (p)ppApp hydrolase from Bacteroides caccae | | 分子名称: | (p)ppApp hydrolase, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | 著者 | Ahmad, S, Alexei, A.G, Tsang, K.K, Trilesky, S, Kim, Y, Whitney, J.C. | | 登録日 | 2021-10-25 | | 公開日 | 2022-11-09 | | 最終更新日 | 2023-05-24 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Identification of a broadly conserved family of enzymes that hydrolyze (p)ppApp.
Proc.Natl.Acad.Sci.USA, 120, 2023
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