8BUS
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![BU of 8bus by Molmil](/molmil-images/mine/8bus) | Structure of DDB1 bound to DS59-engaged CDK12-cyclin K | Descriptor: | 1,3-dimethyl-5-[[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]methyl]pyrazole-4-sulfonamide, Cyclin-K, Cyclin-dependent kinase 12, ... | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | Deposit date: | 2022-11-30 | Release date: | 2023-09-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.26 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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4ZW9
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![BU of 4zw9 by Molmil](/molmil-images/mine/4zw9) | Crystal structure of human GLUT3 bound to D-glucose in the outward-occluded conformation at 1.5 angstrom | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ... | Authors: | Deng, D, Sun, P.C, Yan, C.Y, Yan, N. | Deposit date: | 2015-05-19 | Release date: | 2015-07-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | Molecular basis of ligand recognition and transport by glucose transporters Nature, 526, 2015
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4K97
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![BU of 4k97 by Molmil](/molmil-images/mine/4k97) | Structure of Ternary Complex of cGAS with dsDNA and Bound ATP | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, DNA-F, ... | Authors: | Gao, P, Wu, Y, Patel, D.J. | Deposit date: | 2013-04-19 | Release date: | 2013-05-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase. Cell(Cambridge,Mass.), 153, 2013
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6X59
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![BU of 6x59 by Molmil](/molmil-images/mine/6x59) | The mouse cGAS catalytic domain binding to human assembled nucleosome | Descriptor: | Cyclic GMP-AMP synthase, DNA, Histone H2A type 1, ... | Authors: | Pengbiao, X, Pingwei, L, Baoyu, Z. | Deposit date: | 2020-05-25 | Release date: | 2020-09-16 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (2.98 Å) | Cite: | The molecular basis of tight nuclear tethering and inactivation of cGAS. Nature, 587, 2020
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5AAC
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![BU of 5aac by Molmil](/molmil-images/mine/5aac) | Structure of C1156Y Mutant Human Anaplastic Lymphoma Kinase in Complex with Crizotinib | Descriptor: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, ALK TYROSINE KINASE RECEPTOR | Authors: | McTigue, M, Deng, Y, Liu, W, Brooun, A, Stewart, A. | Deposit date: | 2015-07-23 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Resensitization to Crizotinib by the Lorlatinib Alk Resistance Mutation L1198F. N.Engl.J.Med., 374, 2016
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8BUH
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![BU of 8buh by Molmil](/molmil-images/mine/8buh) | Structure of DDB1 bound to WX3-engaged CDK12-cyclin K | Descriptor: | 6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one, Cyclin-K, Cyclin-dependent kinase 12, ... | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | Deposit date: | 2022-11-30 | Release date: | 2023-09-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.79 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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4D1Y
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![BU of 4d1y by Molmil](/molmil-images/mine/4d1y) | Crystal structure of a putative protease from Bacteroides thetaiotaomicron. | Descriptor: | PUTATIVE PROTEASE I, RIBOFLAVIN, ZINC ION | Authors: | Knaus, T, Uhl, M.K, Monschein, S, Moratti, S, Gruber, K, Macheroux, P. | Deposit date: | 2014-05-05 | Release date: | 2014-10-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Stability of an Unusual Zinc-Binding Protein from Bacteroides Thetaiotaomicron. Biochim.Biophys.Acta, 1844, 2014
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8BUC
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![BU of 8buc by Molmil](/molmil-images/mine/8buc) | Structure of DDB1 bound to dCeMM3-engaged CDK12-cyclin K | Descriptor: | 2-(1~{H}-benzimidazol-2-ylsulfanyl)-~{N}-(5-chloranylpyridin-2-yl)ethanamide, CITRIC ACID, Cyclin-K, ... | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | Deposit date: | 2022-11-30 | Release date: | 2023-09-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.85 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8B4W
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![BU of 8b4w by Molmil](/molmil-images/mine/8b4w) | X-ray structure of furin (PCSK3) in complex with 1H-isoindol-3-amine | Descriptor: | 1H-isoindol-3-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Dahms, S.O, Brandstetter, H. | Deposit date: | 2022-09-21 | Release date: | 2023-10-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem, 19, 2024
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4KCL
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![BU of 4kcl by Molmil](/molmil-images/mine/4kcl) | Structure of neuronal nitric oxide synthase heme domain in complex with N-(4-(2-((3-(thiophene-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiophene-2-carboximidamide | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-(4-{2-[(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2013-04-24 | Release date: | 2014-02-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Potent and Selective Double-Headed Thiophene-2-carboximidamide Inhibitors of Neuronal Nitric Oxide Synthase for the Treatment of Melanoma. J.Med.Chem., 57, 2014
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8B4X
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![BU of 8b4x by Molmil](/molmil-images/mine/8b4x) | X-ray structure of furin (PCSK3) in complex with Guanidinomethyl-Phac-R-Tle-K-6-(aminomethyl)-3-amino-isoindol | Descriptor: | CALCIUM ION, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Dahms, S.O, Brandstetter, H. | Deposit date: | 2022-09-21 | Release date: | 2023-10-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem, 19, 2024
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6WXJ
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![BU of 6wxj by Molmil](/molmil-images/mine/6wxj) | CSF1R signaling is a regulator of pathogenesis in progressive MS | Descriptor: | 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine, Macrophage colony-stimulating factor 1 receptor | Authors: | Liu, J. | Deposit date: | 2020-05-10 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | CSF1R signaling is a regulator of pathogenesis in progressive MS. Cell Death Dis, 11, 2020
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8BUT
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![BU of 8but by Molmil](/molmil-images/mine/8but) | Structure of DDB1 bound to DS61-engaged CDK12-cyclin K | Descriptor: | 2-[[6-[[4-(2-hydroxyethyloxy)phenyl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | Deposit date: | 2022-11-30 | Release date: | 2023-09-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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5A8B
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![BU of 5a8b by Molmil](/molmil-images/mine/5a8b) | Structure of a parallel dimer of the aureochrome 1a LOV domain from Phaeodactylum tricornutum | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, GLYCEROL, ... | Authors: | Banerjee, A, Herman, E, Kottke, T, Essen, L.O. | Deposit date: | 2015-07-14 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.791 Å) | Cite: | Structure of a Native-Like Aureochrome 1A Lov Domain Dimer from Phaeodactylum Tricornutum. Structure, 24, 2016
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5AXN
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![BU of 5axn by Molmil](/molmil-images/mine/5axn) | Crystal structure of Thg1 like protein (TLP) with tRNA(Phe) and GDPNP | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, RNA (75-MER), ... | Authors: | Kimura, S, Suzuki, T, Yu, J, Kato, K, Yao, M. | Deposit date: | 2015-07-31 | Release date: | 2016-08-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.703 Å) | Cite: | Template-dependent nucleotide addition in the reverse (3'-5') direction by Thg1-like protein Sci Adv, 2, 2016
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4ZZ7
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![BU of 4zz7 by Molmil](/molmil-images/mine/4zz7) | Crystal structure of methylmalonate-semialdehyde dehydrogenase (DddC) from Oceanimonas doudoroffii | Descriptor: | Methylmalonate-semialdehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Do, H, Lee, C.W, Lee, S.G, Kang, H, Park, C.M, Kim, H.J, Park, H, Park, H, Lee, J.H. | Deposit date: | 2015-05-22 | Release date: | 2016-04-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structure and modeling of the tetrahedral intermediate state of methylmalonate-semialdehyde dehydrogenase (MMSDH) from Oceanimonas doudoroffii. J. Microbiol., 54, 2016
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8B4V
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![BU of 8b4v by Molmil](/molmil-images/mine/8b4v) | X-ray structure of furin (PCSK3) in complex with benzamidine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BENZAMIDINE, CALCIUM ION, ... | Authors: | Dahms, S.O, Brandstetter, H. | Deposit date: | 2022-09-21 | Release date: | 2023-10-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors. Chemmedchem, 19, 2024
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5AYZ
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![BU of 5ayz by Molmil](/molmil-images/mine/5ayz) | CRYSTAL STRUCTURE OF HUMAN QUINOLINATE PHOSPHORIBOSYLTRANSFERASE IN COMPLEX WITH THE PRODUCT NICOTINATE MONONUCLEOTIDE | Descriptor: | NICOTINATE MONONUCLEOTIDE, Nicotinate-nucleotide pyrophosphorylase [carboxylating] | Authors: | Youn, H.S, Kim, T.G, Kim, M.K, Kang, G.B, Kang, J.Y, Seo, Y.J, Lee, J.G, An, J.Y, Park, K.R, Lee, Y, Im, Y.J, Lee, J.H, Fukuoka, S.I, Eom, S.H. | Deposit date: | 2015-09-14 | Release date: | 2016-02-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural Insights into the Quaternary Catalytic Mechanism of Hexameric Human Quinolinate Phosphoribosyltransferase, a Key Enzyme in de novo NAD Biosynthesis Sci Rep, 6, 2016
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8BUD
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![BU of 8bud by Molmil](/molmil-images/mine/8bud) | Structure of DDB1 bound to Z7-engaged CDK12-cyclin K | Descriptor: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | Deposit date: | 2022-11-30 | Release date: | 2023-09-13 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8B3C
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![BU of 8b3c by Molmil](/molmil-images/mine/8b3c) | Chalcone synthase from Hordeum vulgare complexed with CoA and eriodictyol | Descriptor: | (2S)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN-4-ONE, COENZYME A, Chalcone synthase 2 | Authors: | Zhang, L, Groves, M.R. | Deposit date: | 2022-09-16 | Release date: | 2023-09-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Engineering a Plant Polyketide Synthase for the Biosynthesis of Methylated Flavonoids. J.Agric.Food Chem., 72, 2024
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8BUE
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![BU of 8bue by Molmil](/molmil-images/mine/8bue) | Structure of DDB1 bound to Z11-engaged CDK12-cyclin K | Descriptor: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | Authors: | Kozicka, Z, Kempf, G, Petzold, G, Thoma, N.H. | Deposit date: | 2022-11-30 | Release date: | 2023-09-13 | Last modified: | 2024-01-03 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUG
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![BU of 8bug by Molmil](/molmil-images/mine/8bug) | Structure of DDB1 bound to HQ461-engaged CDK12-cyclin K | Descriptor: | 2-[2-[(6-methylpyridin-2-yl)amino]-1,3-thiazol-4-yl]-~{N}-(5-methyl-1,3-thiazol-2-yl)ethanamide, CITRIC ACID, Cyclin-K, ... | Authors: | Kozicka, Z, Kempf, G, Focht, V, Thoma, N.H. | Deposit date: | 2022-11-30 | Release date: | 2023-09-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (3.53 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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4K24
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![BU of 4k24 by Molmil](/molmil-images/mine/4k24) | Structure of anti-uPAR Fab ATN-658 in complex with uPAR | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Urokinase plasminogen activator surface receptor, ... | Authors: | Huang, M.D, Xu, X, Yuan, C. | Deposit date: | 2013-04-08 | Release date: | 2014-02-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Identification of a New Epitope in uPAR as a Target for the Cancer Therapeutic Monoclonal Antibody ATN-658, a Structural Homolog of the uPAR Binding Integrin CD11b ( alpha M) Plos One, 9, 2014
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8BJS
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![BU of 8bjs by Molmil](/molmil-images/mine/8bjs) | Apo KIF20A[55-510] crystal structure | Descriptor: | Kinesin-like protein KIF20A, SULFATE ION, UNK-UNK-UNK-UNK | Authors: | Ranaivoson, F.M, Kikuti, C, Crozet, V, Sirkia, M.E, Houdusse, A. | Deposit date: | 2022-11-06 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Nucleotide-free structures of KIF20A illuminate atypical mechanochemistry in this kinesin-6. Open Biology, 13, 2023
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4KJQ
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![BU of 4kjq by Molmil](/molmil-images/mine/4kjq) | |