6BIT
| SIRPalpha antibody complex | 分子名称: | KWAR23 Fab heavy chain, KWAR23 Fab light chain, Tyrosine-protein phosphatase non-receptor type substrate 1 | 著者 | Ring, N.G, Herndler-Brandstetter, D, Weiskopf, K, Shan, L, Volkmer, J.P, George, B.M, Lietzenmayer, M, McKenna, K.M, Naik, T.J, McCarty, A, Zheng, Y, Ring, A.M, Flavell, R.A, Weissman, I.L. | 登録日 | 2017-11-03 | 公開日 | 2017-12-06 | 最終更新日 | 2019-11-20 | 実験手法 | X-RAY DIFFRACTION (2.191 Å) | 主引用文献 | Anti-SIRP alpha antibody immunotherapy enhances neutrophil and macrophage antitumor activity. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7M3S
| The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring | 分子名称: | 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ... | 著者 | Hilario, E, Dunn, M.F, Mueller, L.J. | 登録日 | 2021-03-18 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | 主引用文献 | The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.55 Angstrom resolution. One of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring. To be Published
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7M2L
| The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.60 Angstrom resolution. Two of the beta-Q114 rotamer conformations allows a hydrogen bond to form with the PLP oxygen at the position 3 in the ring | 分子名称: | 1,2-ETHANEDIOL, 2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE, CHLORIDE ION, ... | 著者 | Hilario, E, Dunn, M.F, Mueller, L.J. | 登録日 | 2021-03-16 | 公開日 | 2021-09-22 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | 主引用文献 | The internal aldimine form of the wild-type Salmonella Typhimurium Tryptophan Synthase in complex with N-(4'-trifluoromethoxybenzoyl)-2-amino-1-ethylphosphate (F6F) inhibitor at the alpha-and beta-site, sodium ion at the metal coordination site, and another F6F molecule at the enzyme beta-site at 1.60 Angstrom resolution. To be Published
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6XRN
| Crystal structure of human PI3K-gamma in complex with Compound 17 | 分子名称: | 2-amino-5-{2-[(1S)-1-cyclopropylethyl]-7-methyl-1-oxo-2,3-dihydro-1H-isoindol-5-yl}-N-(trans-3-hydroxycyclobutyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 著者 | Walker, N.P, Jeffrey, J.L. | 登録日 | 2020-07-13 | 公開日 | 2021-11-03 | 最終更新日 | 2024-05-22 | 実験手法 | X-RAY DIFFRACTION (2.96 Å) | 主引用文献 | Design, Synthesis, and Structure-Activity Relationship Optimization of Pyrazolopyrimidine Amide Inhibitors of Phosphoinositide 3-Kinase gamma (PI3K gamma ). J.Med.Chem., 65, 2022
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6GP9
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4NWD
| Crystal structure of the kainate receptor GluK3 ligand-binding domain in complex with the agonist (2S,4R)-4-(3-Methylamino-3-oxopropyl)glutamic acid at 2.6 A resolution | 分子名称: | (4R)-4-[3-(methylamino)-3-oxopropyl]-L-glutamic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | 著者 | Venskutonyte, R, Larsen, A.P, Frydenvang, K, Gajhede, M, Kastrup, J.S. | 登録日 | 2013-12-06 | 公開日 | 2014-08-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | 主引用文献 | Molecular Recognition of Two 2,4-syn-Functionalized (S)-Glutamate Analogues by the Kainate Receptor GluK3 Ligand Binding Domain. Chemmedchem, 9, 2014
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4NWC
| Crystal structure of the GluK3 ligand-binding domain (S1S2) in complex with the agonist (2S,4R)-4-(3-Methoxy-3-oxopropyl)glutamic acid at 2.01 A resolution. | 分子名称: | (2S,4R)-4-(3-Methoxy-3-oxopropyl) glutamic acid, CHLORIDE ION, Glutamate receptor ionotropic, ... | 著者 | Larsen, A.P, Venskutonyte, R, Frydenvang, K, Gajhede, M, Kastrup, J.S. | 登録日 | 2013-12-06 | 公開日 | 2014-08-06 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (2.012 Å) | 主引用文献 | Molecular Recognition of Two 2,4-syn-Functionalized (S)-Glutamate Analogues by the Kainate Receptor GluK3 Ligand Binding Domain. Chemmedchem, 9, 2014
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3DVQ
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3DW1
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6DVK
| Computationally designed mini tetraloop-tetraloop receptor by the RNAMake program - construct 6 (miniTTR 6) | 分子名称: | COBALT (II) ION, MAGNESIUM ION, RNA (95-MER) | 著者 | Eiler, D.R, Yesselman, J.D, Costantino, D.A, Das, R, Kieft, J.S. | 登録日 | 2018-06-24 | 公開日 | 2019-06-26 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | 主引用文献 | Computational design of three-dimensional RNA structure and function. Nat Nanotechnol, 14, 2019
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4YOI
| Structure of HKU4 3CLpro bound to non-covalent inhibitor 1A | 分子名称: | 3C-like proteinase, ACETATE ION, FORMIC ACID, ... | 著者 | St John, S.E, Mesecar, A. | 登録日 | 2015-03-11 | 公開日 | 2015-08-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (1.82 Å) | 主引用文献 | Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS). Bioorg.Med.Chem., 23, 2015
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6I5V
| BlMnBP1 binding protein of an ABC transporter from Bifidobacterium animalis subsp. lactis ATCC27673 in complex with mannotriose | 分子名称: | Solute Binding Protein, BlMnBP1 in complex with mannotrisoe, ZINC ION, ... | 著者 | Abou Hachem, M, Ejby, M, Guskov, A, Slotboom, D.J. | 登録日 | 2018-11-14 | 公開日 | 2019-04-17 | 最終更新日 | 2024-05-15 | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | 主引用文献 | Two binding proteins of the ABC transporter that confers growth of Bifidobacterium animalis subsp. lactis ATCC27673 on beta-mannan possess distinct manno-oligosaccharide-binding profiles. Mol.Microbiol., 112, 2019
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3OPH
| ESBL R164S mutant of SHV-1 beta-lactamase | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE | 著者 | Sampson, J.M, van den Akker, F. | 登録日 | 2010-09-01 | 公開日 | 2011-07-13 | 最終更新日 | 2023-09-06 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Ligand-dependent disorder of the Omega loop observed in extended-spectrum SHV-type beta-lactamase. Antimicrob.Agents Chemother., 55, 2011
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3DO2
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4YO9
| HKU4 3CLpro unbound structure | 分子名称: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3C-like proteinase, ACETATE ION, ... | 著者 | St John, S.E, Mesecar, A. | 登録日 | 2015-03-11 | 公開日 | 2015-08-05 | 最終更新日 | 2024-02-28 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS). Bioorg.Med.Chem., 23, 2015
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3UAG
| UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ... | 著者 | Bertrand, J.A, Auger, G, Martin, L, Fanchon, E, Blanot, D, Le Beller, D, Van Heijenoort, J, Dideberg, O. | 登録日 | 1999-02-24 | 公開日 | 2000-02-25 | 最終更新日 | 2023-12-27 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Determination of the MurD mechanism through crystallographic analysis of enzyme complexes. J.Mol.Biol., 289, 1999
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5DL9
| Structure of Tetragonal Lysozyme in complex with Iodine solved by UWO Students | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, IODIDE ION, ... | 著者 | Bednarski, R, Cirricione, N, Greco, A, Hodgson, R, Kent, S, McGowan, J, Notherm, B, Patt, M, Vue, L, Bianchetti, C.M. | 登録日 | 2015-09-04 | 公開日 | 2015-09-16 | 実験手法 | X-RAY DIFFRACTION (1.38 Å) | 主引用文献 | Structure of Tetragonal Lysozyme in complex with Iodine solved by UWO Students To Be Published
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5DLA
| Structure of Tetragonal Lysozyme solved by UWO Students | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | 著者 | Bednarski, R, Cirricione, N, Greco, A, Hodgson, R, Kent, S, McGowan, J, Notherm, B, Patt, M, Vue, L, Bianchetti, C.M. | 登録日 | 2015-09-04 | 公開日 | 2015-09-16 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.22 Å) | 主引用文献 | Structure of Tetragonal Lysozyme in complex with Iodine solved by UWO Students To Be Published
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2PNC
| Crystal Structure of Bovine Plasma Copper-Containing Amine Oxidase in Complex with Clonidine | 分子名称: | 2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | 著者 | Cendron, L, Holt, A, Smith, D.J, Zanotti, G, Rigo, A, Di Paolo, M.L. | 登録日 | 2007-04-24 | 公開日 | 2008-02-26 | 最終更新日 | 2023-08-30 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Multiple binding sites for substrates and modulators of semicarbazide-sensitive amine oxidases: kinetic consequences Mol.Pharmacol., 73, 2008
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4OJF
| Humanised 3D6 Fab complexed to amyloid beta 1-8 | 分子名称: | Amyloid beta A4 protein, Humanised 3D6 Fab Heavy Chain, Humanised 3D6 Fab Light Chain | 著者 | Miles, L.A, Crespi, G.A.N, Parker, M.W. | 登録日 | 2014-01-21 | 公開日 | 2015-01-28 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | 主引用文献 | Crystallization and preliminary X-ray diffraction analysis of the Fab portion of the Alzheimer's disease immunotherapy candidate bapineuzumab complexed with amyloid-beta ACTA CRYSTALLOGR.,SECT.F, 70, 2014
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3DNZ
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3DVS
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3DVR
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2GCP
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4GA3
| Crystal Structure of Human Farnesyl Diphosphate Synthase in Complex with BPH-1260 | 分子名称: | 1-butyl-3-(2-hydroxy-2,2-diphosphonoethyl)-1H-imidazol-3-ium, Farnesyl pyrophosphate synthase, MAGNESIUM ION, ... | 著者 | Liu, Y.-L, Zhang, Y, Oldfield, E. | 登録日 | 2012-07-24 | 公開日 | 2013-05-08 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | 主引用文献 | Chemo-Immunotherapeutic Anti-Malarials Targeting Isoprenoid Biosynthesis. ACS MED.CHEM.LETT., 4, 2013
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