1Q1P
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![BU of 1q1p by Molmil](/molmil-images/mine/1q1p) | E-Cadherin activation | Descriptor: | CALCIUM ION, Epithelial-cadherin | Authors: | Haussinger, D, Stetefeld, J. | Deposit date: | 2003-07-22 | Release date: | 2004-04-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Proteolytic E-cadherin activation followed by solution NMR and X-ray crystallography. Embo J., 23, 2004
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2N1T
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![BU of 2n1t by Molmil](/molmil-images/mine/2n1t) | Dynamic binding mode of a synaptotagmin-1-SNARE complex in solution | Descriptor: | Synaptosomal-associated protein 25, Synaptotagmin-1, Syntaxin-1A, ... | Authors: | Brewer, K, Bacaj, T, Cavalli, A, Camilloni, C, Swarbrick, J, Liu, J, Zhou, A, Zhou, P, Barlow, N, Xu, J, Seven, A, Prinslow, E, Voleti, R, Haussinger, D, Bonvin, A, Tomchick, D, Vendruscolo, M, Graham, B, Sudhof, T, Rizo, J. | Deposit date: | 2015-04-21 | Release date: | 2015-06-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Dynamic binding mode of a Synaptotagmin-1-SNARE complex in solution. Nat.Struct.Mol.Biol., 22, 2015
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1SP7
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![BU of 1sp7 by Molmil](/molmil-images/mine/1sp7) | Structure of the Cys-rich C-terminal domain of Hydra minicollagen | Descriptor: | mini-collagen | Authors: | Meier, S, Haussinger, D, Pokidysheva, E, Bachinger, H.P, Grzesiek, S. | Deposit date: | 2004-03-16 | Release date: | 2004-05-18 | Last modified: | 2022-03-02 | Method: | SOLUTION NMR | Cite: | Determination of a high-precision NMR structure of the minicollagen cysteine rich domain from Hydra and characterization of its disulfide bond formation. Febs Lett., 569, 2004
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2V37
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![BU of 2v37 by Molmil](/molmil-images/mine/2v37) | Solution structure of the N-terminal extracellular domain of human T- cadherin | Descriptor: | CADHERIN-13 | Authors: | Dames, S.A, Bang, E.J, Ahrens, T, Haeussinger, D, Grzesiek, S. | Deposit date: | 2007-06-13 | Release date: | 2008-06-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Insights into the low adhesive capacity of human T-cadherin from the NMR structure of Its N-terminal extracellular domain. J. Biol. Chem., 283, 2008
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6J6Y
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![BU of 6j6y by Molmil](/molmil-images/mine/6j6y) | FGFR4 D2 - Fab complex | Descriptor: | Fab Heavy chain, Fab light chain, Fibroblast growth factor receptor 4 | Authors: | Takahashi, M, Hanzawa, H. | Deposit date: | 2019-01-16 | Release date: | 2019-08-07 | Last modified: | 2019-10-16 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Preclinical Development of U3-1784, a Novel FGFR4 Antibody Against Cancer, and Avoidance of Its On-target Toxicity. Mol.Cancer Ther., 18, 2019
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6S07
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![BU of 6s07 by Molmil](/molmil-images/mine/6s07) | Structure of formylglycine-generating enzyme at 1.04 A in complex with copper and substrate reveals an acidic pocket for binding and acti-vation of molecular oxygen. | Descriptor: | Abz-ALA-THR-THR-PRO-LEU-CYS-GLY-PRO-SER-ARG-ALA-SER-ILE-LEU-SER-GLY-ARG, CALCIUM ION, CHLORIDE ION, ... | Authors: | Leisinger, F, Miarzlou, D.A, Seebeck, F.P. | Deposit date: | 2019-06-14 | Release date: | 2019-06-26 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Structure of formylglycine-generating enzyme in complex with copper and a substrate reveals an acidic pocket for binding and activation of molecular oxygen. Chem Sci, 10, 2019
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8OH7
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![BU of 8oh7 by Molmil](/molmil-images/mine/8oh7) | |
5BRU
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![BU of 5bru by Molmil](/molmil-images/mine/5bru) | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | Descriptor: | Carbonic anhydrase 2, SULFATE ION, ZINC ION, ... | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | Deposit date: | 2015-06-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
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5BRW
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![BU of 5brw by Molmil](/molmil-images/mine/5brw) | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | Descriptor: | ACETATE ION, Carbonic anhydrase 2, SULFATE ION, ... | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | Deposit date: | 2015-06-01 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
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5BRV
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![BU of 5brv by Molmil](/molmil-images/mine/5brv) | Catalytic Improvement of an Artificial Metalloenzyme by Computational Design | Descriptor: | Carbonic anhydrase 2, ZINC ION, pentamethylcyclopentadienyl iridium [N-benzensulfonamide-(2-pyridylmethyl-4-benzensulfonamide)amin] chloride | Authors: | Heinisch, T, Pellizzoni, M, Duerrenberger, M, Tinberg, C.E, Koehler, V, Klehr, J, Haeussinger, D, Baker, D, Ward, T.R. | Deposit date: | 2015-06-01 | Release date: | 2015-06-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Improving the Catalytic Performance of an Artificial Metalloenzyme by Computational Design. J.Am.Chem.Soc., 137, 2015
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1SOP
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![BU of 1sop by Molmil](/molmil-images/mine/1sop) | |
1ZPX
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![BU of 1zpx by Molmil](/molmil-images/mine/1zpx) | |
8BU4
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![BU of 8bu4 by Molmil](/molmil-images/mine/8bu4) | Structure of DDB1 bound to DS22-engaged CDK12-cyclin K | Descriptor: | (2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-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 (3.09 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUF
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![BU of 8buf by Molmil](/molmil-images/mine/8buf) | Structure of DDB1 bound to Z12-engaged CDK12-cyclin K | Descriptor: | 2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one, Cyclin-K, Cyclin-dependent kinase 12, ... | 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 (3.3 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUJ
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![BU of 8buj by Molmil](/molmil-images/mine/8buj) | Structure of DDB1 bound to DS06-engaged CDK12-cyclin K | Descriptor: | (2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | 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 (3.62 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BU1
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![BU of 8bu1 by Molmil](/molmil-images/mine/8bu1) | Structure of DDB1 bound to DS17-engaged CDK12-cyclin K | Descriptor: | (2~{R})-2-[[6-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methylamino]-9-(1-methylpyrazol-4-yl)purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | 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 (2.98 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BU9
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![BU of 8bu9 by Molmil](/molmil-images/mine/8bu9) | Structure of DDB1 bound to roscovitine-engaged CDK12-cyclin K | Descriptor: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | 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 (3.51 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUO
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![BU of 8buo by Molmil](/molmil-images/mine/8buo) | Structure of DDB1 bound to DS24-engaged CDK12-cyclin K | Descriptor: | (2~{R})-2-[[6-[(3-fluoranyl-4-pyridin-2-yl-phenyl)methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | 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 (3.58 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUP
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![BU of 8bup by Molmil](/molmil-images/mine/8bup) | Structure of DDB1 bound to DS30-engaged CDK12-cyclin K | Descriptor: | (2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, Cyclin-K, Cyclin-dependent kinase 12, ... | 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 (3.41 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BU6
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![BU of 8bu6 by Molmil](/molmil-images/mine/8bu6) | Structure of DDB1 bound to DS55-engaged CDK12-cyclin K | Descriptor: | Cyclin-K, Cyclin-dependent kinase 12, DNA damage-binding protein 1, ... | 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 (3.45 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUK
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![BU of 8buk by Molmil](/molmil-images/mine/8buk) | Structure of DDB1 bound to DS08-engaged CDK12-cyclin K | Descriptor: | (2~{R})-2-[[6-(naphthalen-2-ylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, CITRIC ACID, Cyclin-K, ... | 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 (3.41 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BU3
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![BU of 8bu3 by Molmil](/molmil-images/mine/8bu3) | Structure of DDB1 bound to DS19-engaged CDK12-cyclin K | Descriptor: | 1,2-ETHANEDIOL, 2-morpholin-4-yl-9-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]purin-6-amine, Cyclin-K, ... | 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 (3.42 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUB
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![BU of 8bub by Molmil](/molmil-images/mine/8bub) | Structure of DDB1 bound to dCeMM4-engaged CDK12-cyclin K | Descriptor: | CITRIC ACID, Cyclin-K, Cyclin-dependent kinase 12, ... | 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 (3.42 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUQ
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![BU of 8buq by Molmil](/molmil-images/mine/8buq) | Structure of DDB1 bound to DS43-engaged CDK12-cyclin K | Descriptor: | (2~{R})-2-[[6-[[1-(3-chlorophenyl)pyrazol-3-yl]methylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, 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 (3.2 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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8BUL
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![BU of 8bul by Molmil](/molmil-images/mine/8bul) | Structure of DDB1 bound to DS11-engaged CDK12-cyclin K | Descriptor: | (2~{R})-2-[[6-(3-phenylpropylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol, 1,2-ETHANEDIOL, Cyclin-K, ... | 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 (3.4 Å) | Cite: | Design principles for cyclin K molecular glue degraders. Nat.Chem.Biol., 20, 2024
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