6ON8
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8E7F
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![BU of 8e7f by Molmil](/molmil-images/mine/8e7f) | Crystal structure of the autotransporter Ssp from Serratia marcescens. | 分子名称: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Extracellular serine protease, ... | 著者 | Hor, L, Pilapitiya, A, Panjikar, S, Paxman, J.J, Heras, B. | 登録日 | 2022-08-23 | 公開日 | 2023-03-08 | 最終更新日 | 2023-03-15 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Crystal structure of a subtilisin-like autotransporter passenger domain reveals insights into its cytotoxic function. Nat Commun, 14, 2023
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6OKS
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8E5N
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![BU of 8e5n by Molmil](/molmil-images/mine/8e5n) | Structure of ARG1 complex with pyrrolidine-based non-boronic acid inhibitor 10 | 分子名称: | 1-{[(3S,4S)-3-(3-fluorophenyl)-4-{[4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid, Arginase-1, MANGANESE (II) ION | 著者 | Palte, R.L, Gathiaka, S. | 登録日 | 2022-08-22 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.538 Å) | 主引用文献 | Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods. Bioorg.Med.Chem.Lett., 84, 2023
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5KCJ
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![BU of 5kcj by Molmil](/molmil-images/mine/5kcj) | Structure of the human GluN1/GluN2A LBD in complex with GNE6901 | 分子名称: | 7-[(4-fluoranylphenoxy)methyl]-3-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]-2-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one, ACETATE ION, GLUTAMIC ACID, ... | 著者 | Wallweber, H.J.A, Lupardus, P.J. | 登録日 | 2016-06-06 | 公開日 | 2016-07-13 | 実験手法 | X-RAY DIFFRACTION (2.09 Å) | 主引用文献 | Positive Allosteric Modulators of GluN2A-Containing NMDARs with Distinct Modes of Action and Impacts on Circuit Function. Neuron, 89, 2016
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5KGM
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![BU of 5kgm by Molmil](/molmil-images/mine/5kgm) | 2.95A resolution structure of Apo independent phosphoglycerate mutase from C. elegans (monoclinic form) | 分子名称: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, MANGANESE (II) ION, ... | 著者 | Lovell, S, Mehzabeen, N, Battaile, K.P, Yu, H, Dranchak, P, MacArthur, R, Li, Z, Carlow, T, Suga, H, Inglese, J. | 登録日 | 2016-06-13 | 公開日 | 2017-04-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.95 Å) | 主引用文献 | Macrocycle peptides delineate locked-open inhibition mechanism for microorganism phosphoglycerate mutases. Nat Commun, 8, 2017
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8E5M
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![BU of 8e5m by Molmil](/molmil-images/mine/8e5m) | Structure of ARG1 complex with pyrrolidine-based non-boronic acid inhibitor 6 | 分子名称: | 1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid, Arginase-1, MANGANESE (II) ION | 著者 | Palte, R.L, Gathiaka, S. | 登録日 | 2022-08-22 | 公開日 | 2023-03-08 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | 主引用文献 | Discovery of non-boronic acid Arginase 1 inhibitors through virtual screening and biophysical methods. Bioorg.Med.Chem.Lett., 84, 2023
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4WOE
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![BU of 4woe by Molmil](/molmil-images/mine/4woe) | The duplicated taurocyamine kinase from Schistosoma mansoni with bound transition state analog (TSA) components | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NITRATE ION, ... | 著者 | Merceron, R, Awama, A, Montserret, R, Marcillat, O, Gouet, P. | 登録日 | 2014-10-15 | 公開日 | 2015-04-15 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | The Substrate-free and -bound Crystal Structures of the Duplicated Taurocyamine Kinase from the Human Parasite Schistosoma mansoni. J.Biol.Chem., 290, 2015
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5KDM
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8DMY
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![BU of 8dmy by Molmil](/molmil-images/mine/8dmy) | Cryo-EM structure of cardiac muscle alpha-actin | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha cardiac muscle 1, ... | 著者 | Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K. | 登録日 | 2022-07-09 | 公開日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (3.07 Å) | 主引用文献 | Structural insights into actin isoforms. Elife, 12, 2023
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8DMX
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![BU of 8dmx by Molmil](/molmil-images/mine/8dmx) | Cryo-EM structure of skeletal muscle alpha-actin | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | 著者 | Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K. | 登録日 | 2022-07-08 | 公開日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (3.37 Å) | 主引用文献 | Structural insights into actin isoforms. Elife, 12, 2023
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8DNH
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![BU of 8dnh by Molmil](/molmil-images/mine/8dnh) | Cryo-EM structure of nonmuscle beta-actin | 分子名称: | ADENOSINE-5'-DIPHOSPHATE, Actin, cytoplasmic 1, ... | 著者 | Arora, A.S, Huang, H.L, Heissler, S.M, Chinthalapudi, K. | 登録日 | 2022-07-11 | 公開日 | 2023-04-12 | 実験手法 | ELECTRON MICROSCOPY (2.99 Å) | 主引用文献 | Structural insights into actin isoforms. Elife, 12, 2023
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8ED4
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![BU of 8ed4 by Molmil](/molmil-images/mine/8ed4) | Structure of the complex between the arsenite oxidase and its native electron acceptor cytochrome c552 from Pseudorhizobium sp. str. NT-26 | 分子名称: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, AroA, AroB, ... | 著者 | Maher, M.J, Poddar, N. | 登録日 | 2022-09-03 | 公開日 | 2023-04-12 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (2.25 Å) | 主引用文献 | The structure of the complex between the arsenite oxidase from Pseudorhizobium banfieldiae sp. strain NT-26 and its native electron acceptor cytochrome c 552. Acta Crystallogr D Struct Biol, 79, 2023
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8EA8
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![BU of 8ea8 by Molmil](/molmil-images/mine/8ea8) | NKG2D complexed with inhibitor 4a | 分子名称: | DI(HYDROXYETHYL)ETHER, N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | 登録日 | 2022-08-28 | 公開日 | 2023-05-03 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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5KGL
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![BU of 5kgl by Molmil](/molmil-images/mine/5kgl) | 2.45A resolution structure of Apo independent phosphoglycerate mutase from C. elegans (orthorhombic form) | 分子名称: | 2,3-bisphosphoglycerate-independent phosphoglycerate mutase, CHLORIDE ION, MANGANESE (II) ION, ... | 著者 | Lovell, S, Mehzabeen, N, Battaile, K.P, Yu, H, Dranchak, P, MacArthur, R, Li, Z, Carlow, T, Suga, H, Inglese, J. | 登録日 | 2016-06-13 | 公開日 | 2017-04-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Macrocycle peptides delineate locked-open inhibition mechanism for microorganism phosphoglycerate mutases. Nat Commun, 8, 2017
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8EA7
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![BU of 8ea7 by Molmil](/molmil-images/mine/8ea7) | NKG2D complexed with inhibitor 3g | 分子名称: | (4M)-N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4-(1-methyl-1H-pyrazol-5-yl)-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, DI(HYDROXYETHYL)ETHER, NKG2-D type II integral membrane protein | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | 登録日 | 2022-08-28 | 公開日 | 2023-05-03 | 最終更新日 | 2023-05-10 | 実験手法 | X-RAY DIFFRACTION (1.28 Å) | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA5
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![BU of 8ea5 by Molmil](/molmil-images/mine/8ea5) | NKG2D complexed with inhibitor 1a | 分子名称: | (3S,5aS,8aR)-3-benzyl-6-[(3,5-dichlorophenyl)methyl]-1,4-dimethyloctahydropyrrolo[3,2-e][1,4]diazepine-2,5-dione, NKG2-D type II integral membrane protein, TRIETHYLENE GLYCOL | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | 登録日 | 2022-08-28 | 公開日 | 2023-05-03 | 最終更新日 | 2023-05-10 | 実験手法 | X-RAY DIFFRACTION (1.63 Å) | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA9
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![BU of 8ea9 by Molmil](/molmil-images/mine/8ea9) | NKG2D complexed with inhibitor 4d | 分子名称: | DI(HYDROXYETHYL)ETHER, N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-2-(dimethylamino)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein, ... | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | 登録日 | 2022-08-28 | 公開日 | 2023-05-03 | 最終更新日 | 2023-05-10 | 実験手法 | X-RAY DIFFRACTION (1.58 Å) | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EAB
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![BU of 8eab by Molmil](/molmil-images/mine/8eab) | NKG2D complexed with inhibitor 4f | 分子名称: | DI(HYDROXYETHYL)ETHER, N-[(1S)-2-oxo-1-[3-(trifluoromethyl)phenyl]-2-({4-[4-(trifluoromethyl)phenyl]pyridin-3-yl}amino)ethyl]-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, NKG2-D type II integral membrane protein | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | 登録日 | 2022-08-28 | 公開日 | 2023-05-03 | 最終更新日 | 2023-05-10 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EA6
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![BU of 8ea6 by Molmil](/molmil-images/mine/8ea6) | NKG2D complexed with inhibitor 3e | 分子名称: | N-{(1S)-2-(dimethylamino)-2-oxo-1-[3-(trifluoromethyl)phenyl]ethyl}-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxamide, NKG2-D type II integral membrane protein | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | 登録日 | 2022-08-28 | 公開日 | 2023-05-03 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.73 Å) | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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8EAA
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![BU of 8eaa by Molmil](/molmil-images/mine/8eaa) | NKG2D complexed with inhibitor 4e | 分子名称: | DI(HYDROXYETHYL)ETHER, GLYCEROL, N-{(1S)-2-(dimethylamino)-1-[3-methyl-5-(trifluoromethyl)phenyl]-2-oxoethyl}-4-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide, ... | 著者 | Thompson, A.A, Grant, J.C, Karpowich, N.K, Sharma, S. | 登録日 | 2022-08-28 | 公開日 | 2023-05-03 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.57 Å) | 主引用文献 | Identification of small-molecule protein-protein interaction inhibitors for NKG2D. Proc.Natl.Acad.Sci.USA, 120, 2023
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4WL0
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5KJ5
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![BU of 5kj5 by Molmil](/molmil-images/mine/5kj5) | Crystal structure of 2-aminomuconate 6-semialdehyde dehydrogenase N169D in complex with NAD+ | 分子名称: | 2-aminomuconate 6-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | 著者 | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | 登録日 | 2016-06-17 | 公開日 | 2016-11-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.113 Å) | 主引用文献 | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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6OI4
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![BU of 6oi4 by Molmil](/molmil-images/mine/6oi4) | RPN13 (19-132)-RPN2 (940-952) pY950-Ub complex | 分子名称: | 1,2-ETHANEDIOL, 26S proteasome non-ATPase regulatory subunit 1, Proteasomal ubiquitin receptor ADRM1, ... | 著者 | Hemmis, C.W, Hill, C.P. | 登録日 | 2019-04-08 | 公開日 | 2019-05-15 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | 主引用文献 | Phosphorylation of Tyr-950 in the proteasome scaffolding protein RPN2 modulates its interaction with the ubiquitin receptor RPN13. J.Biol.Chem., 294, 2019
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5KLL
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![BU of 5kll by Molmil](/molmil-images/mine/5kll) | Crystal structure of 2-hydroxymuconate-6-semialdehyde derived tautomeric intermediate in 2-aminomuconate 6-semialdehyde dehydrogenase N169D | 分子名称: | (3~{E},5~{E})-6-oxidanyl-2-oxidanylidene-hexa-3,5-dienoic acid, 2-aminomuconate 6-semialdehyde dehydrogenase, SODIUM ION | 著者 | Yang, Y, Davis, I, Ha, U, Wang, Y, Shin, I, Liu, A. | 登録日 | 2016-06-24 | 公開日 | 2016-11-09 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.17 Å) | 主引用文献 | A Pitcher-and-Catcher Mechanism Drives Endogenous Substrate Isomerization by a Dehydrogenase in Kynurenine Metabolism. J.Biol.Chem., 291, 2016
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