6NQ5
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5W0H
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6NRE
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5VVM
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5VWS
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![BU of 5vws by Molmil](/molmil-images/mine/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
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6NG3
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![BU of 6ng3 by Molmil](/molmil-images/mine/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
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5W1D
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5VRT
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![BU of 5vrt by Molmil](/molmil-images/mine/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
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5W4T
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![BU of 5w4t by Molmil](/molmil-images/mine/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
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6NKQ
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5VT8
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6NO8
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5VZQ
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![BU of 5vzq by Molmil](/molmil-images/mine/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
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5VP7
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![BU of 5vp7 by Molmil](/molmil-images/mine/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
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5W26
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![BU of 5w26 by Molmil](/molmil-images/mine/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
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5VPM
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5W2U
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![BU of 5w2u by Molmil](/molmil-images/mine/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
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5VTS
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![BU of 5vts by Molmil](/molmil-images/mine/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
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5VUB
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![BU of 5vub by Molmil](/molmil-images/mine/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
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6NSX
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6NG0
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![BU of 6ng0 by Molmil](/molmil-images/mine/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
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5VPZ
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![BU of 5vpz by Molmil](/molmil-images/mine/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
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6NLO
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5VZO
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![BU of 5vzo by Molmil](/molmil-images/mine/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
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6O17
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