7WQM
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![BU of 7wqm by Molmil](/molmil-images/mine/7wqm) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound 24 | Descriptor: | 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P. | Deposit date: | 2022-01-25 | Release date: | 2023-01-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer. Eur.J.Med.Chem., 247, 2022
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7VKM
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![BU of 7vkm by Molmil](/molmil-images/mine/7vkm) | Crystal structure of TrkA (G595R) kinase domain | Descriptor: | Tyrosine-protein kinase receptor | Authors: | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | Deposit date: | 2021-09-30 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations. Mol.Cancer Ther., 20, 2021
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7VKO
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![BU of 7vko by Molmil](/molmil-images/mine/7vko) | Crystal structure of TrkA kinase with repotrectinib | Descriptor: | Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor | Authors: | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | Deposit date: | 2021-09-30 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations. Mol.Cancer Ther., 20, 2021
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7VKN
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![BU of 7vkn by Molmil](/molmil-images/mine/7vkn) | Crystal structure of TrkA (G595R) kinase with repotrectinib | Descriptor: | Repotrectinib, SULFATE ION, Tyrosine-protein kinase receptor | Authors: | Murray, B.W, Rogers, E, Zhai, D, Deng, W, Chen, X, Sprengeler, P.A, Zhang, X, Graber, A, Reich, S.H, Stopatschinskaja, S, Solomon, B, Besse, B, Drilon, A. | Deposit date: | 2021-09-30 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular Characteristics of Repotrectinib That Enable Potent Inhibition of TRK Fusion Proteins and Resistant Mutations. Mol.Cancer Ther., 20, 2021
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7X3O
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![BU of 7x3o by Molmil](/molmil-images/mine/7x3o) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 | Descriptor: | (2~{R})-2-(3-fluoranyl-4-pyrimidin-5-yl-phenyl)butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.001 Å) | Cite: | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07054 To Be Published
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7UDB
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![BU of 7udb by Molmil](/molmil-images/mine/7udb) | Cryo-EM structure of a synaptobrevin-Munc18-1-syntaxin-1 complex class 2 | Descriptor: | Synaptobrevin-2, Syntaxin-1A, Syntaxin-binding protein 1 | Authors: | Rizo, J, Bai, X, Stepien, K.P, Xu, J, Zhang, X. | Deposit date: | 2022-03-18 | Release date: | 2022-04-06 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | SNARE assembly enlightened by cryo-EM structures of a synaptobrevin-Munc18-1-syntaxin-1 complex. Sci Adv, 8, 2022
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7UDC
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![BU of 7udc by Molmil](/molmil-images/mine/7udc) | cryo-EM structures of a synaptobrevin-Munc18-1-syntaxin-1 complex class1 | Descriptor: | Synaptobrevin-2, Syntaxin-1A, Syntaxin-binding protein 1 | Authors: | Rizo, J, Bai, X, Stepien, K.P, Xu, J, Zhang, X. | Deposit date: | 2022-03-18 | Release date: | 2022-04-06 | Last modified: | 2022-07-06 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | SNARE assembly enlightened by cryo-EM structures of a synaptobrevin-Munc18-1-syntaxin-1 complex. Sci Adv, 8, 2022
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7V3P
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![BU of 7v3p by Molmil](/molmil-images/mine/7v3p) | Cryo-EM structure of the IGF1R/insulin complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | Authors: | Zhang, J, Liu, C, Zhang, X, Wei, T, Wu, C. | Deposit date: | 2021-08-11 | Release date: | 2022-08-17 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Cryo-EM structure of the IGF1R/insulin complex To Be Published
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7W5S
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![BU of 7w5s by Molmil](/molmil-images/mine/7w5s) | A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE (II) ION, ... | Authors: | Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2021-11-30 | Release date: | 2022-04-13 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates. Appl.Environ.Microbiol., 88, 2022
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7W5T
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![BU of 7w5t by Molmil](/molmil-images/mine/7w5t) | A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2021-11-30 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates. Appl.Environ.Microbiol., 88, 2022
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7W5V
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![BU of 7w5v by Molmil](/molmil-images/mine/7w5v) | A nonheme iron- and alpha-ketoglutarate- dependent halogenase that catalyzes nucleotide substrates | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | Authors: | Dai, L.H, Zhang, X, Hu, Y.M, Huang, J.W, Chen, C.C, Guo, R.T. | Deposit date: | 2021-11-30 | Release date: | 2022-04-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Structural and Functional Insights into a Nonheme Iron- and alpha-Ketoglutarate-Dependent Halogenase That Catalyzes Chlorination of Nucleotide Substrates. Appl.Environ.Microbiol., 88, 2022
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7WQV
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![BU of 7wqv by Molmil](/molmil-images/mine/7wqv) | Crystal structure of a neutralizing monoclonal antibody (Ab08) in complex with SARS-CoV-2 receptor-binding domain (RBD) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Ab08, ... | Authors: | Zha, J, Meng, L, Zhang, X, Li, D. | Deposit date: | 2022-01-26 | Release date: | 2023-01-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Spike-destructing human antibody effectively neutralizes Omicron-included SARS-CoV-2 variants with therapeutic efficacy. Plos Pathog., 19, 2023
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7VH3
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![BU of 7vh3 by Molmil](/molmil-images/mine/7vh3) | |
4M8N
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![BU of 4m8n by Molmil](/molmil-images/mine/4m8n) | Crystal Structure of PlexinC1/Rap1B Complex | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Pascoe, H.G, Wang, Y, Brautigam, C.A, He, H, Zhang, X. | Deposit date: | 2013-08-13 | Release date: | 2013-10-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.294 Å) | Cite: | Structural basis for activation and non-canonical catalysis of the Rap GTPase activating protein domain of plexin. Elife, 2, 2013
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4LDT
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![BU of 4ldt by Molmil](/molmil-images/mine/4ldt) | The structure of h/ceOTUB1-ubiquitin aldehyde-UBCH5B~Ub | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Ubiquitin, ... | Authors: | Wiener, R, DiBello, A.T, Lombardi, P.M, Guzzo, C.M, Zhang, X, Matunis, M.J, Wolberger, C. | Deposit date: | 2013-06-25 | Release date: | 2013-08-14 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | E2 ubiquitin-conjugating enzymes regulate the deubiquitinating activity of OTUB1. Nat.Struct.Mol.Biol., 20, 2013
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7VVS
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![BU of 7vvs by Molmil](/molmil-images/mine/7vvs) | PLL9 induced TmFtn nanocage | Descriptor: | FE (III) ION, Ferritin | Authors: | Zhao, G, Zhang, X. | Deposit date: | 2021-11-08 | Release date: | 2022-11-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | PLL9 induced TmFtn nanocage To Be Published
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4M8M
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![BU of 4m8m by Molmil](/molmil-images/mine/4m8m) | |
4MGG
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![BU of 4mgg by Molmil](/molmil-images/mine/4mgg) | Crystal structure of an enolase (mandelate racemase subgroup) from labrenzia aggregata iam 12614 (target nysgrc-012903) with bound mg, space group p212121 | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Muconate lactonizing enzyme, ... | Authors: | Vetting, M.W, Zhang, X, Wasserman, S.R, Morisco, L.L, Sojitra, S, Bonanno, J.B, Gerlt, J.A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC) | Deposit date: | 2013-08-28 | Release date: | 2013-10-16 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of an enolase (mandelate racemase subgroup) from labrenzia aggregata iam 12614 (target nysgrc-012903) with bound mg, space group p212121 To be Published
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3UDC
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![BU of 3udc by Molmil](/molmil-images/mine/3udc) | Crystal structure of a membrane protein | Descriptor: | Small-conductance mechanosensitive channel, C-terminal peptide from Small-conductance mechanosensitive channel | Authors: | Li, W, Ge, J, Yang, M. | Deposit date: | 2011-10-28 | Release date: | 2012-10-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3.355 Å) | Cite: | Structure and molecular mechanism of an anion-selective mechanosensitive channel of small conductance Proc.Natl.Acad.Sci.USA, 109, 2012
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7Y9O
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![BU of 7y9o by Molmil](/molmil-images/mine/7y9o) | Crystal structure of a CYP109B4 variant from Bacillus sonorensis | Descriptor: | CALCIUM ION, Cytochrome P450 monooxygenase YjiB, IMIDAZOLE, ... | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-25 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
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7Y97
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![BU of 7y97 by Molmil](/molmil-images/mine/7y97) | Crystal structure of CYP109B4 from Bacillus Sonorensis | Descriptor: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
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7Y98
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![BU of 7y98 by Molmil](/molmil-images/mine/7y98) | Crystal structure of CYP109B4 from Bacillus Sonorensis in complex with Testosterone | Descriptor: | Cytochrome P450 monooxygenase YjiB, PROTOPORPHYRIN IX CONTAINING FE, TESTOSTERONE | Authors: | Shen, P.P, Huang, J.-W, Li, X, Liu, W.D, Chen, C.-C, Guo, R.-T. | Deposit date: | 2022-06-24 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Rationally Controlling Selective Steroid Hydroxylation via Scaffold Sampling of a P450 Family Acs Catalysis, 13, 2023
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7XT1
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![BU of 7xt1 by Molmil](/molmil-images/mine/7xt1) | |
5JRH
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![BU of 5jrh by Molmil](/molmil-images/mine/5jrh) | Crystal structure of Salmonella enterica acetyl-CoA synthetase (Acs) in complex with cAMP and Coenzyme A | Descriptor: | (R,R)-2,3-BUTANEDIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Acetyl-coenzyme A synthetase, ... | Authors: | Shen, L, Zhang, Y. | Deposit date: | 2016-05-06 | Release date: | 2016-12-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.644 Å) | Cite: | Cyclic AMP Inhibits the Activity and Promotes the Acetylation of Acetyl-CoA Synthetase through Competitive Binding to the ATP/AMP Pocket. J. Biol. Chem., 292, 2017
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6FPG
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![BU of 6fpg by Molmil](/molmil-images/mine/6fpg) | Structure of the Ustilago maydis chorismate mutase 1 in complex with a Zea mays kiwellin | Descriptor: | CITRIC ACID, Chromosome 16, whole genome shotgun sequence, ... | Authors: | Altegoer, F, Steinchen, W, Bange, G. | Deposit date: | 2018-02-09 | Release date: | 2019-01-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A kiwellin disarms the metabolic activity of a secreted fungal virulence factor. Nature, 565, 2019
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