5XV7
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![BU of 5xv7 by Molmil](/molmil-images/mine/5xv7) | SRPK1 in complex with Alectinib | Descriptor: | 1,2-ETHANEDIOL, 9-ethyl-6,6-dimethyl-8-[4-(morpholin-4-yl)piperidin-1-yl]-11-oxo-6,11-dihydro-5H-benzo[b]carbazole-3-carbonitrile, serine-arginine (SR) protein kinase 1 | Authors: | Zeng, C, Ngo, J.C.K. | Deposit date: | 2017-06-26 | Release date: | 2018-03-14 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | SRPKIN-1: A Covalent SRPK1/2 Inhibitor that Potently Converts VEGF from Pro-angiogenic to Anti-angiogenic Isoform Cell Chem Biol, 25, 2018
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7K58
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![BU of 7k58 by Molmil](/molmil-images/mine/7k58) | |
6NIL
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![BU of 6nil by Molmil](/molmil-images/mine/6nil) | cryoEM structure of the truncated HIV-1 Vif/CBFbeta/A3F complex | Descriptor: | Core-binding factor subunit beta, DNA dC->dU-editing enzyme APOBEC-3F, Virion infectivity factor, ... | Authors: | Hu, Y, Xiong, Y. | Deposit date: | 2018-12-29 | Release date: | 2019-12-11 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis of antagonism of human APOBEC3F by HIV-1 Vif. Nat.Struct.Mol.Biol., 26, 2019
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6OFP
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![BU of 6ofp by Molmil](/molmil-images/mine/6ofp) | |
5ZU5
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![BU of 5zu5 by Molmil](/molmil-images/mine/5zu5) | |
6AVO
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![BU of 6avo by Molmil](/molmil-images/mine/6avo) | Cryo-EM structure of human immunoproteasome with a novel noncompetitive inhibitor that selectively inhibits activated lymphocytes | Descriptor: | N~1~-{2-[([1,1'-biphenyl]-3-carbonyl)amino]ethyl}-N~4~-tert-butyl-N~2~-(3-phenylpropanoyl)-L-aspartamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Li, H, Santos, R, Bai, L. | Deposit date: | 2017-09-04 | Release date: | 2017-12-06 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure of human immunoproteasome with a reversible and noncompetitive inhibitor that selectively inhibits activated lymphocytes. Nat Commun, 8, 2017
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8D0A
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![BU of 8d0a by Molmil](/molmil-images/mine/8d0a) | Crystal structure of human USP30 in complex with a covalent inhibitor 829 and a Fab | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, mouse anti-huUSP30 Fab heavy chain, ... | Authors: | Song, X, Butler, J, Li, C, Zhang, K, Zhang, D, Hao, Y. | Deposit date: | 2022-05-25 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | TBD To Be Published
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8T1O
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![BU of 8t1o by Molmil](/molmil-images/mine/8t1o) | AP2 bound to MSP2N2 nanodisc with Tgn38 cargo peptide; composite map | Descriptor: | AP-2 complex subunit alpha-2, AP-2 complex subunit beta, AP-2 complex subunit mu, ... | Authors: | Baker, R.W, Cannon, K.S, Reta, S. | Deposit date: | 2023-06-02 | Release date: | 2023-07-12 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Lipid nanodiscs as a template for high-resolution cryo-EM structures of peripheral membrane proteins. J.Struct.Biol., 215, 2023
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8WY7
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![BU of 8wy7 by Molmil](/molmil-images/mine/8wy7) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22 | Descriptor: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4 | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | Deposit date: | 2023-10-30 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
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8WY3
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![BU of 8wy3 by Molmil](/molmil-images/mine/8wy3) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 21 | Descriptor: | Bromodomain-containing protein 4, ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | Deposit date: | 2023-10-30 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
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8WYG
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![BU of 8wyg by Molmil](/molmil-images/mine/8wyg) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22 | Descriptor: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 2 | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | Deposit date: | 2023-10-30 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
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8WXY
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![BU of 8wxy by Molmil](/molmil-images/mine/8wxy) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 23 | Descriptor: | 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | Deposit date: | 2023-10-30 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
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6ITG
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![BU of 6itg by Molmil](/molmil-images/mine/6itg) | a new alginate lyase (PL6) from Vibrio splendidus OU02 | Descriptor: | Alginate lyase, GLYCEROL, MALONATE ION | Authors: | Liu, W.Z, Lyu, Q.Q. | Deposit date: | 2018-11-23 | Release date: | 2019-05-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structural insights into a novel Ca2+-independent PL-6 alginate lyase from Vibrio OU02 identify the possible subsites responsible for product distribution. Biochim Biophys Acta Gen Subj, 1863, 2019
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2HW2
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![BU of 2hw2 by Molmil](/molmil-images/mine/2hw2) | |
8GNA
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![BU of 8gna by Molmil](/molmil-images/mine/8gna) | Structure of the SbCas7-11-crRNA-NTR complex | Descriptor: | RAMP superfamily protein, RNA (32-MER), RNA (5'-R(P*GP*GP*GP*GP*CP*AP*GP*AP*AP*AP*AP*UP*UP*GP*GP*GP*U)-3'), ... | Authors: | Yu, G, Wang, X, Deng, Z, Zhang, H. | Deposit date: | 2022-08-23 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Target RNA-guided protease activity in type III-E CRISPR-Cas system. Nucleic Acids Res., 50, 2022
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8GU6
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![BU of 8gu6 by Molmil](/molmil-images/mine/8gu6) | Structure of the SbCas7-11-crRNA-NTR-Csx29 complex | Descriptor: | CHAT domain protein, RAMP superfamily protein, RNA (33-MER), ... | Authors: | Yu, G, Wang, X, Deng, Z, Zhang, H. | Deposit date: | 2022-09-10 | Release date: | 2023-01-18 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Target RNA-guided protease activity in type III-E CRISPR-Cas system. Nucleic Acids Res., 50, 2022
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8K8J
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![BU of 8k8j by Molmil](/molmil-images/mine/8k8j) | Cannabinoid Receptor 1 bound to Fenofibrate coupling MiniGsq and Nb35 Complex | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ... | Authors: | Tang, W.Q, Wang, T.X, Li, F.H, Wang, J.Y. | Deposit date: | 2023-07-30 | Release date: | 2024-02-14 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | Fenofibrate Recognition and G q Protein Coupling Mechanisms of the Human Cannabinoid Receptor CB1. Adv Sci, 11, 2024
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7N9Z
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![BU of 7n9z by Molmil](/molmil-images/mine/7n9z) | E. coli cytochrome bo3 in MSP nanodisc | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... | Authors: | Vallese, F, Clarke, O.B. | Deposit date: | 2021-06-19 | Release date: | 2021-09-01 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.19 Å) | Cite: | Cryo-EM structures of Escherichia coli cytochrome bo 3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site. Proc.Natl.Acad.Sci.USA, 118, 2021
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8ITE
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![BU of 8ite by Molmil](/molmil-images/mine/8ite) | |
7T9I
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![BU of 7t9i by Molmil](/molmil-images/mine/7t9i) | Native human TSH bound to human Thyrotropin receptor in complex with miniGs399 (composite structure) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein hormones alpha chain, ... | Authors: | Faust, B, Cheng, Y, Manglik, A. | Deposit date: | 2021-12-19 | Release date: | 2022-08-03 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor. Nature, 609, 2022
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7T9N
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![BU of 7t9n by Molmil](/molmil-images/mine/7t9n) | M22 Agonist Autoantibody bound to Human Thyrotropin receptor in complex with miniGs399 (composite structure) | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Faust, B, Cheng, Y, Manglik, A. | Deposit date: | 2021-12-19 | Release date: | 2022-08-03 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor. Nature, 609, 2022
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7T9M
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![BU of 7t9m by Molmil](/molmil-images/mine/7t9m) | Human Thyrotropin receptor bound by CS-17 Inverse Agonist Fab/Org 274179-0 Antagonist | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CS-17 Heavy Chain, ... | Authors: | Faust, B, Cheng, Y, Manglik, A. | Deposit date: | 2021-12-19 | Release date: | 2022-08-10 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Autoantibody mimicry of hormone action at the thyrotropin receptor. Nature, 609, 2022
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4Y9L
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![BU of 4y9l by Molmil](/molmil-images/mine/4y9l) | Crystal Structure of Caenorhabditis elegans ACDH-11 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Protein ACDH-11, isoform b | Authors: | Li, Z.J, Zhai, Y.J, Zhang, K, Sun, F. | Deposit date: | 2015-02-17 | Release date: | 2015-06-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Acyl-CoA Dehydrogenase Drives Heat Adaptation by Sequestering Fatty Acids Cell, 161, 2015
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7WKC
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![BU of 7wkc by Molmil](/molmil-images/mine/7wkc) | |
7Z0P
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![BU of 7z0p by Molmil](/molmil-images/mine/7z0p) | SARS-COV2 Main Protease in complex with inhibitor MG-131 | Descriptor: | (1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, SODIUM ION | Authors: | El Kilani, H, Hilgenfeld, R. | Deposit date: | 2022-02-23 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | From Repurposing to Redesign: Optimization of Boceprevir to Highly Potent Inhibitors of the SARS-CoV-2 Main Protease. Molecules, 27, 2022
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