PDB: 37044 件ウェブページステータス検索Chemie searchBIRD

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6NQ5	human (alpha met/beta hemichrome) hemoglobin with S-nitrosation at beta-Cys93 分子名称: FE (III) ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... 著者 Yi, J. 登録日 2019-01-19 公開日 2020-01-22 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 human (alpha met/beta hemichrome) hemoglobin with S-nitrosation at beta-Cys93 To Be Published
5W0H	Structure of U2AF65 (U2AF2) RRM2 at 1.11 Angstrom Resolution 分子名称: Splicing factor U2AF 65 kDa subunit 著者 Agrawal, A.A, Jenkins, J.L, Kielkopf, C.L. 登録日 2017-05-30 公開日 2018-04-11 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.11 Å) 主引用文献 Cancer-Associated Mutations Mapped on High-Resolution Structures of the U2AF2 RNA Recognition Motifs. Biochemistry, 56, 2017
6NRE	Monomeric Lipocalin Can F 6 分子名称: Lipocalin-Can f 6 allergen 著者 Clayton G, M, Kappler J, W, Chan, S. 登録日 2019-01-23 公開日 2019-09-25 実験手法 X-RAY DIFFRACTION (2.06 Å) 主引用文献 Structural characteristics of lipocalin allergens: Crystal structure of the immunogenic dog allergen Can f 6. Plos One, 14, 2019
5VVM	Crystal structure of human CDH23 EC21-23 分子名称: CALCIUM ION, Cadherin-23 著者 Patel, A, Jaiganesh, A, Sotomayor, M. 登録日 2017-05-19 公開日 2018-05-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.54 Å) 主引用文献 Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness. Structure, 26, 2018
5VWS	Ligand free structure of Cytochrome P450 TbtJ1 分子名称: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE 著者 Gober, J.G, Ghodge, S.V, Brustad, E.M, Bowers, A.A. 登録日 2017-05-22 公開日 2017-06-07 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.411 Å) 主引用文献 P450-Mediated Non-natural Cyclopropanation of Dehydroalanine-Containing Thiopeptides. ACS Chem. Biol., 12, 2017
6NG3	Crystal structure of human CD160 and HVEM complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CD160 antigen,Tumor necrosis factor receptor superfamily member 14, MAGNESIUM ION, ... 著者 Liu, W, Bonanno, J, Almo, S.C. 登録日 2018-12-21 公開日 2019-07-03 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.88 Å) 主引用文献 Structural Basis of CD160:HVEM Recognition. Structure, 27, 2019
5W1D	Crystal Structure of Mouse Protocadherin-15 EC4-7 分子名称: CALCIUM ION, POTASSIUM ION, Protocadherin-15 著者 Klanseck, C.F, Neel, B.L, Sotomayor, M. 登録日 2017-06-02 公開日 2018-06-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (3.35 Å) 主引用文献 Structural determinants of protocadherin-15 mechanics and function in hearing and balance perception. Proc.Natl.Acad.Sci.USA, 2020
5VRT	Nonheme Iron Replacement in a Biosynthetic Nitric Oxide Reductase Model Performing O2 Reduction to Water: Co-bound FeBMb 分子名称: COBALT (II) ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE 著者 Reed, J, Shi, Y, Zhu, Q, Chakraborty, S, Mirs, E.N, Petrik, I.D, Bhagi-Damodaran, A, Ross, M, Moenne-Loccoz, P, Zhang, Y, Lu, Y. 登録日 2017-05-11 公開日 2017-08-16 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.995 Å) 主引用文献 Manganese and Cobalt in the Nonheme-Metal-Binding Site of a Biosynthetic Model of Heme-Copper Oxidase Superfamily Confer Oxidase Activity through Redox-Inactive Mechanism. J. Am. Chem. Soc., 139, 2017
5W4T	Crystal Structure of Fish Cadherin-23 EC1-3 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... 著者 De-la-Torre, P, Sotomayor, M. 登録日 2017-06-12 公開日 2018-06-20 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness. Structure, 26, 2018
6NKQ	The structure of bovine beta-lactoglobulin in novel crystals grown at pH 3.8 分子名称: Beta-lactoglobulin, CALCIUM ION 著者 McPherson, A. 登録日 2019-01-07 公開日 2019-01-23 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 The structure of bovine beta-lactoglobulin in crystals grown at pH 3.8 exhibiting novel threefold twinning. Acta Crystallogr.,Sect.F, 75, 2019
5VT8	Crystal Structure of Mouse Cadherin-23 EC24-25 分子名称: CALCIUM ION, Cadherin-23 著者 Jaiganesh, A, Sotomayor, M. 登録日 2017-05-15 公開日 2018-05-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.92 Å) 主引用文献 Zooming in on Cadherin-23: Structural Diversity and Potential Mechanisms of Inherited Deafness. Structure, 26, 2018
6NO8	PIM1 in complex with Cpd9 ((R)-5-amino-N-(3-(4-aminoazepan-1-yl)-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide) 分子名称: 5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, PHOSPHATE ION, Serine/threonine-protein kinase pim-1 著者 Murray, J.M, wang, X. 登録日 2019-01-15 公開日 2019-11-27 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.377 Å) 主引用文献 Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma To be published
5VZQ	Sperm whale myoglobin V68A/I107Y with nitric oxide 分子名称: Myoglobin, NITRIC OXIDE, NITRITE ION, ... 著者 Wang, B, Thomas, L.M, Richter-Addo, G.B. 登録日 2017-05-29 公開日 2018-06-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
5VP7	Crystal structure of human KRAS G12A mutant in complex with GDP 分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Xu, S, Long, B, Boris, G, Chen, A, Ni, S, Kennedy, M.A. 登録日 2017-05-04 公開日 2017-12-06 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
5W26	INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 4-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID 分子名称: (2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, (2~{R},3~{R},5~{R})-3-acetamido-5-fluoranyl-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G. 登録日 2017-06-05 公開日 2018-02-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives. J. Med. Chem., 61, 2018
5VPM	Crystal Structure of Human Renin in Complex with a biphenylpipderidinylcarbinol 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin, SULFATE ION, ... 著者 Concha, N, Zhao, B. 登録日 2017-05-05 公開日 2017-10-18 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (2.9 Å) 主引用文献 Discovery of renin inhibitors containing a simple aspartate binding moiety that imparts reduced P450 inhibition. Bioorg. Med. Chem. Lett., 27, 2017
5W2U	INFLUENZA VIRUS NEURAMINIDASE N9 IN COMPLEX WITH 7-DEOXYGENATED 2,3-DIFLUORO-N-ACETYLNEURAMINIC ACID 分子名称: (2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid, (2~{S},3~{R},4~{R},5~{R})-3-acetamido-2-[(2~{S})-2,3-bis(oxidanyl)propyl]-5-fluoranyl-4-oxidanyl-2,3,4,5-tetrahydropyran-1-ium-6-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Streltsov, V.A, Mckimm-Breschkin, J, Barrett, S, Pilling, P, Hader, S, Watt, A.G. 登録日 2017-06-06 公開日 2018-02-21 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural and Functional Analysis of Anti-Influenza Activity of 4-, 7-, 8- and 9-Deoxygenated 2,3-Difluoro- N-acetylneuraminic Acid Derivatives. J. Med. Chem., 61, 2018
5VTS	Dehaloperoxidase B Y28F mutant 分子名称: Dehaloperoxidase B, GLYCEROL, OXYGEN MOLECULE, ... 著者 Carey, L.M, Ghiladi, R.A. 登録日 2017-05-18 公開日 2018-05-23 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.571 Å) 主引用文献 Probing the Structure-Function Relationship of a Multifunctional Enzyme using Crystallographic Diffraction Methods Thesis, North Carolina State University, 2017
5VUB	Pim1 Kinase in complex with a benzofuranone inhibitor 分子名称: (2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[3,2-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one, GLYCEROL, Serine/threonine-protein kinase pim-1 著者 Parker, L.J. 登録日 2017-05-18 公開日 2017-12-13 最終更新日 2018-01-17 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Theoretical Analysis of Activity Cliffs among Benzofuranone-Class Pim1 Inhibitors Using the Fragment Molecular Orbital Method with Molecular Mechanics Poisson-Boltzmann Surface Area (FMO+MM-PBSA) Approach J Chem Inf Model, 57, 2017
6NSX	Yeast Hsh155 Ligand bound to Human Tat-SF1 Motif 分子名称: CHLORIDE ION, HIV Tat-specific factor 1, Hsh155 著者 Jenkins, J.L, Leach, J.R, Kielkopf, C.L. 登録日 2019-01-25 公開日 2019-06-05 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Cus2 enforces the first ATP-dependent step of splicing by binding to yeast SF3b1 through a UHM-ULM interaction. Rna, 25, 2019
6NG0	Crystal structure of HPK1 kinase domain T165E,S171E phosphomimetic mutant in complex with sunitinib in the inactive state. 分子名称: Mitogen-activated protein kinase kinase kinase kinase 1, N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbo xamide 著者 Johnson, E, McTigue, M, Cronin, C.N. 登録日 2018-12-21 公開日 2019-05-01 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Multiple conformational states of the HPK1 kinase domain in complex with sunitinib reveal the structural changes accompanying HPK1 trans-regulation. J.Biol.Chem., 294, 2019
5VPZ	Crystal structure of human KRAS G12A mutant in complex with GTP-gamma-S 分子名称: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase KRas, MAGNESIUM ION 著者 Xu, S, Long, B, Boris, G, Ni, S, Kennedy, M.A. 登録日 2017-05-06 公開日 2017-12-06 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structural insight into the rearrangement of the switch I region in GTP-bound G12A K-Ras. Acta Crystallogr D Struct Biol, 73, 2017
6NLO	Human ABCC6 NBD1 H812A in Apo state 分子名称: Multidrug resistance-associated protein 6, SULFATE ION 著者 Zheng, A, Thibodeau, P.H. 登録日 2019-01-08 公開日 2020-01-15 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (2.85021973 Å) 主引用文献 Structures of human ABCC6 NBD1 and NBD2 To be published
5VZO	Sperm whale myoglobin H64A with nitric oxide 分子名称: GLYCEROL, Myoglobin, NITRIC OXIDE, ... 著者 Wang, B, Thomas, L.M, Richter-Addo, G.B. 登録日 2017-05-29 公開日 2018-06-06 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets. Biochemistry, 57, 2018
6O17	Recombinant Human Insulin 分子名称: Insulin chain A, Insulin chain B 著者 Reyes-Grajeda, J.P. 登録日 2019-02-18 公開日 2020-02-26 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 Human WT insulin To Be Published

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