8XGV
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![BU of 8xgv by Molmil](/molmil-images/mine/8xgv) | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction (PPI) Inhibitors | Descriptor: | (2~{R},3~{S})-3-[[(2~{S})-2-[4-[(3-ethoxypyridin-2-yl)methyl]phenyl]-2-fluoranyl-ethanoyl]amino]-2-methyl-3-(4-methylphenyl)propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ... | Authors: | Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K. | Deposit date: | 2023-12-15 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors. J.Med.Chem., 67, 2024
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9BRU
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![BU of 9bru by Molmil](/molmil-images/mine/9bru) | Intact V-ATPase State 1 in synaptophysin knock-out isolated synaptic vesicles | Descriptor: | Renin receptor cytoplasmic fragment, Ribonuclease kappa, V-type proton ATPase 116 kDa subunit a 1, ... | Authors: | Wang, C, Jiang, W, Yang, K, Wang, X, Guo, Q, Brunger, A.T. | Deposit date: | 2024-05-11 | Release date: | 2024-06-19 | Last modified: | 2024-08-07 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structure and topography of the synaptic V-ATPase-synaptophysin complex. Nature, 631, 2024
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9BFT
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![BU of 9bft by Molmil](/molmil-images/mine/9bft) | Cryo-EM co-structure of AcrB with CU244 | Descriptor: | (2S)-1-{[(1R,5R)-3-azabicyclo[3.1.0]hexan-6-yl]amino}-3-(3,5-dichlorophenoxy)propan-2-ol, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Multidrug efflux pump subunit AcrB | Authors: | Su, C.C. | Deposit date: | 2024-04-18 | Release date: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (2.44 Å) | Cite: | Bacterial efflux pump modulators prevent bacterial growth in macrophages and under broth conditions that mimic the host environment. mBio, 14, 2023
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8XY0
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![BU of 8xy0 by Molmil](/molmil-images/mine/8xy0) | Activity-stability trade-off observed in variants at position 315 of the GH10 xylanase XynR | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, Endo-1,4-beta-xylanase A | Authors: | Nakamura, T, Takita, T, Mizutani, K, Mikami, B, Nakamura, S, Yasukawa, K. | Deposit date: | 2024-01-19 | Release date: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Activity-stability trade-off observed in variants at position 315 of the GH10 xylanase XynR. Sci Rep, 14, 2024
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9FP6
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![BU of 9fp6 by Molmil](/molmil-images/mine/9fp6) | |
9EOG
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![BU of 9eog by Molmil](/molmil-images/mine/9eog) | |
8YXM
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![BU of 8yxm by Molmil](/molmil-images/mine/8yxm) | |
9ERO
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![BU of 9ero by Molmil](/molmil-images/mine/9ero) | |
9BB2
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![BU of 9bb2 by Molmil](/molmil-images/mine/9bb2) | |
9BKK
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![BU of 9bkk by Molmil](/molmil-images/mine/9bkk) | Cholecystokinin 1 receptor (CCK1R) sterol 7M mutant, Gq chimera (mGsqi) complex | Descriptor: | Cholecystokinin receptor type A, Cholecystokinin-8, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Harikumar, K.G, Zhao, P, Cary, B.P, Xu, X, Desai, A.J, Mobbs, J.I, Toufaily, C, Furness, S.G.B, Christopoulos, A, Belousoff, M.J, Wootten, D, Sexton, P.M, Miller, L.J. | Deposit date: | 2024-04-29 | Release date: | 2024-05-22 | Last modified: | 2024-08-14 | Method: | ELECTRON MICROSCOPY (2.51 Å) | Cite: | Cholesterol-dependent dynamic changes in the conformation of the type 1 cholecystokinin receptor affect ligand binding and G protein coupling. Plos Biol., 22, 2024
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8ZN1
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![BU of 8zn1 by Molmil](/molmil-images/mine/8zn1) | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Viswanathan, V, Kumari, A, Singh, A, Kumar, A, Sharma, P, Chopra, S, Sharma, S, Raje, C.I, Singh, T.P. | Deposit date: | 2024-05-25 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii at 3.00 A resolution To Be Published
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8Z4B
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9BKN
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![BU of 9bkn by Molmil](/molmil-images/mine/9bkn) | DHODH in complex with Ligand 16 | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | Shaffer, P.L. | Deposit date: | 2024-04-29 | Release date: | 2024-07-03 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML. J.Med.Chem., 67, 2024
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8YWO
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![BU of 8ywo by Molmil](/molmil-images/mine/8ywo) | Crystal structure of L-azetidine-2-carboxylate hydrolase soaked in (S)-azetidine-2-carboxylic acid | Descriptor: | (2S)-azetidine-2-carboxylic acid, (S)-2-haloacid dehalogenase | Authors: | Toyoda, M, Mizutani, K, Mikami, B, Wackett, L.P, Esaki, N, Kurihara, T. | Deposit date: | 2024-03-31 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Research for the crystal structure of L-azetidine-2-carboxylate hydrolase To Be Published
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9BQV
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![BU of 9bqv by Molmil](/molmil-images/mine/9bqv) | DdmD dimer apoprotein | Descriptor: | Helicase/UvrB N-terminal domain-containing protein | Authors: | Bravo, J.P.K, Taylor, D.W. | Deposit date: | 2024-05-10 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Plasmid targeting and destruction by the DdmDE bacterial defence system. Nature, 630, 2024
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9ENZ
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![BU of 9enz by Molmil](/molmil-images/mine/9enz) | |
9C61
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![BU of 9c61 by Molmil](/molmil-images/mine/9c61) | Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26 | Descriptor: | (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one, Non-specific serine/threonine protein kinase, UNKNOWN ATOM OR ION | Authors: | Zeng, H, Dong, A, Kutera, M, Ilyassov, O, Seitova, A, Loppnau, P, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | Deposit date: | 2024-06-07 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26 To be published
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5KJW
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![BU of 5kjw by Molmil](/molmil-images/mine/5kjw) | Crystal structure of Coleus blumei HCT in complex with 3-hydroxyacetophenone | Descriptor: | 1-(3-hydroxyphenyl)ethanone, Hydroxycinnamoyl transferase | Authors: | Levsh, O, Chiang, Y.C, Tung, C.F, Noel, J.P, Wang, Y, Weng, J.K. | Deposit date: | 2016-06-20 | Release date: | 2016-11-02 | Last modified: | 2019-11-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dynamic Conformational States Dictate Selectivity toward the Native Substrate in a Substrate-Permissive Acyltransferase. Biochemistry, 55, 2016
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9F48
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8YKI
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![BU of 8yki by Molmil](/molmil-images/mine/8yki) | FGFR-1 in complex with ligand tasurgratinib | Descriptor: | CHLORIDE ION, Fibroblast growth factor receptor 1, Tasurgratinib | Authors: | Ikemori-Kawada, M, Watanabe Miyano, S. | Deposit date: | 2024-03-05 | Release date: | 2024-06-12 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Antitumor Activity of Tasurgratinib as an Orally Available FGFR1-3 Inhibitor in Cholangiocarcinoma Models With FGFR2-fusion. Anticancer Res., 44, 2024
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8Y91
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![BU of 8y91 by Molmil](/molmil-images/mine/8y91) | Structure of NET-nomifensine in outward-open state | Descriptor: | (4S)-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-amine, CHLORIDE ION, SODIUM ION, ... | Authors: | Zhang, H, Xu, E.H, Jiang, Y. | Deposit date: | 2024-02-06 | Release date: | 2024-05-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Dimerization and antidepressant recognition at noradrenaline transporter. Nature, 630, 2024
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8ZNB
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8XZ2
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![BU of 8xz2 by Molmil](/molmil-images/mine/8xz2) | The structural model of a homodimeric D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria | Descriptor: | D-alanyl-D-alanine dipeptidase | Authors: | Konuma, T, Takai, T, Tsuchiya, C, Nishida, M, Hashiba, M, Yamada, Y, Shirai, H, Motoda, Y, Nagadoi, A, Chikaishi, E, Akagi, K, Akashi, S, Yamazaki, T, Akutsu, H, Oe, A, Ikegami, T. | Deposit date: | 2024-01-20 | Release date: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Analysis of the homodimeric structure of a D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria. Protein Sci., 33, 2024
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9EZX
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![BU of 9ezx by Molmil](/molmil-images/mine/9ezx) | Vibrio cholerae DdmD apo complex | Descriptor: | Helicase/UvrB N-terminal domain-containing protein | Authors: | Loeff, L, Jinek, M. | Deposit date: | 2024-04-14 | Release date: | 2024-06-19 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.55 Å) | Cite: | Molecular mechanism of plasmid elimination by the DdmDE defense system. Science, 385, 2024
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9BHR
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![BU of 9bhr by Molmil](/molmil-images/mine/9bhr) | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(2-methoxyethyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide, DDB1- and CUL4-associated factor 1 | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-Awar, R, Krausser, C, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC) | Deposit date: | 2024-04-21 | Release date: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-40155 compound To be published
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