6EPO
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![BU of 6epo by Molmil](/molmil-images/mine/6epo) | RAS GUANINE EXCHANGE FACTOR SOS1 (REM-CDC25) IN COMPLEX WITH KRAS(G12C) AND FRAGMENT SCREENING HIT F3 | Descriptor: | 3-(4-chlorophenyl)propan-1-amine, GLYCEROL, GTPase KRas, ... | Authors: | Hillig, R.C, Moosmayer, D, Hilpmann, A, Bader, B, Schroeder, J, Wortmann, L, Sautier, B, Kahmann, J, Wegener, D, Briem, H, Petersen, K, Badock, V. | Deposit date: | 2017-10-12 | Release date: | 2019-02-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of potent SOS1 inhibitors that block RAS activation via disruption of the RAS-SOS1 interaction. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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6E70
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![BU of 6e70 by Molmil](/molmil-images/mine/6e70) | Structure of Wild Type Human Transthyretin in Complex with Diflunisal | Descriptor: | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-BENZOIC ACID, CALCIUM ION, Transthyretin | Authors: | Chung, K, Saelices, L, Sawaya, M.R, Cascio, D, Eisenberg, D. | Deposit date: | 2018-07-25 | Release date: | 2019-07-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.992 Å) | Cite: | Structural Variants of Transthyretin To Be Published
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1DBS
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1DAA
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![BU of 1daa by Molmil](/molmil-images/mine/1daa) | |
6H1M
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![BU of 6h1m by Molmil](/molmil-images/mine/6h1m) | Neutron structure of Lactobacillus brevis alcohol dehydrogenase | Descriptor: | MAGNESIUM ION, MANGANESE (II) ION, R-specific alcohol dehydrogenase | Authors: | Hermann, J, Nowotny, P, Schrader, T.E, Biggel, P, Hekmat, D, Weuster-Botz, D. | Deposit date: | 2018-07-12 | Release date: | 2018-12-12 | Last modified: | 2024-01-24 | Method: | NEUTRON DIFFRACTION (2.15 Å) | Cite: | Neutron and X-ray crystal structures of Lactobacillus brevis alcohol dehydrogenase reveal new insights into hydrogen-bonding pathways. Acta Crystallogr F Struct Biol Commun, 74, 2018
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6U94
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![BU of 6u94 by Molmil](/molmil-images/mine/6u94) | Structure of RND efflux system, outer membrane lipoprotein, NodT family from Burkholderia mallei ATCC 23344 | Descriptor: | GLYCEROL, RND efflux system, outer membrane lipoprotein, ... | Authors: | Horanyi, P.S, Fox III, D, Abendroth, J, Lorimer, D, Edwards, T, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2019-09-06 | Release date: | 2019-10-02 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of RND efflux system, outer membrane lipoprotein, NodT family from Burkholderia mallei ATCC 23344 To Be Published
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1T9R
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![BU of 1t9r by Molmil](/molmil-images/mine/1t9r) | Catalytic Domain Of Human Phosphodiesterase 5A | Descriptor: | CITRIC ACID, PHOSPHATE ION, ZINC ION, ... | Authors: | Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G. | Deposit date: | 2004-05-18 | Release date: | 2004-08-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases Mol.Cell, 15, 2004
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6H6G
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![BU of 6h6g by Molmil](/molmil-images/mine/6h6g) | Crystal Structure of TcdB2-TccC3 without hypervariable C-terminal region | Descriptor: | TcdB2,TccC3 | Authors: | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | Deposit date: | 2018-07-27 | Release date: | 2018-10-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.004 Å) | Cite: | Tc toxin activation requires unfolding and refolding of a beta-propeller. Nature, 563, 2018
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6H67
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![BU of 6h67 by Molmil](/molmil-images/mine/6h67) | Yeast RNA polymerase I elongation complex stalled by cyclobutane pyrimidine dimer (CPD) | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Sanz-Murillo, M, Xu, J, Gil-Carton, D, Wang, D, Fernandez-Tornero, C. | Deposit date: | 2018-07-26 | Release date: | 2018-08-29 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis of RNA polymerase I stalling at UV light-induced DNA damage. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6H68
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![BU of 6h68 by Molmil](/molmil-images/mine/6h68) | Yeast RNA polymerase I elongation complex stalled by cyclobutane pyrimidine dimer (CPD) with fully-ordered A49 | Descriptor: | DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ... | Authors: | Sanz-Murillo, M, Xu, J, Gil-Carton, D, Wang, D, Fernandez-Tornero, C. | Deposit date: | 2018-07-26 | Release date: | 2018-08-29 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Structural basis of RNA polymerase I stalling at UV light-induced DNA damage. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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1T9S
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![BU of 1t9s by Molmil](/molmil-images/mine/1t9s) | Catalytic Domain Of Human Phosphodiesterase 5A in Complex with GMP | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ZINC ION, ... | Authors: | Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G. | Deposit date: | 2004-05-18 | Release date: | 2004-08-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases Mol.Cell, 15, 2004
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1TBB
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![BU of 1tbb by Molmil](/molmil-images/mine/1tbb) | Catalytic Domain Of Human Phosphodiesterase 4D In Complex With Rolipram | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, ROLIPRAM, ... | Authors: | Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G. | Deposit date: | 2004-05-19 | Release date: | 2004-08-03 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases Mol.Cell, 15, 2004
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6H6E
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![BU of 6h6e by Molmil](/molmil-images/mine/6h6e) | PTC3 holotoxin complex from Photorhabdus luminecens in prepore state (TcdA1, TcdB2, TccC3) | Descriptor: | TcdA1, TcdB2,TccC3 | Authors: | Gatsogiannis, C, Merino, F, Roderer, D, Balchin, D, Schubert, E, Kuhlee, A, Hayer-Hartl, M, Raunser, S. | Deposit date: | 2018-07-27 | Release date: | 2018-10-03 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.95 Å) | Cite: | Tc toxin activation requires unfolding and refolding of a beta-propeller. Nature, 563, 2018
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7YHN
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![BU of 7yhn by Molmil](/molmil-images/mine/7yhn) | ANTI-TUMOR AGENT Y48 IN COMPLEX WITH TUBULIN | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-methyl-3-[(4-methylphenyl)sulfonylamino]-~{N}-[(6-methylpyridin-3-yl)methyl]benzamide, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Du, T, Ji, M, Hou, Z, Lin, S, Zhang, J, Wu, D, Zhang, K, Lu, D, Xu, H, Chen, X. | Deposit date: | 2022-07-14 | Release date: | 2023-07-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Optimization of Benzamide Derivatives as Potent and Orally Active Tubulin Inhibitors Targeting the Colchicine Binding Site. J.Med.Chem., 65, 2022
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1XYC
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![BU of 1xyc by Molmil](/molmil-images/mine/1xyc) | X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS | Descriptor: | 3-O-METHYLFRUCTOSE IN LINEAR FORM, MAGNESIUM ION, XYLOSE ISOMERASE | Authors: | Lavie, A, Allen, K.N, Petsko, G.A, Ringe, D. | Deposit date: | 1994-01-03 | Release date: | 1994-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis. Biochemistry, 33, 1994
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1XYB
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![BU of 1xyb by Molmil](/molmil-images/mine/1xyb) | X-RAY CRYSTALLOGRAPHIC STRUCTURES OF D-XYLOSE ISOMERASE-SUBSTRATE COMPLEXES POSITION THE SUBSTRATE AND PROVIDE EVIDENCE FOR METAL MOVEMENT DURING CATALYSIS | Descriptor: | D-glucose, MAGNESIUM ION, XYLOSE ISOMERASE | Authors: | Lavie, A, Allen, K.N, Petsko, G.A, Ringe, D. | Deposit date: | 1994-01-03 | Release date: | 1994-05-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | X-ray crystallographic structures of D-xylose isomerase-substrate complexes position the substrate and provide evidence for metal movement during catalysis. Biochemistry, 33, 1994
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1TAZ
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![BU of 1taz by Molmil](/molmil-images/mine/1taz) | Catalytic Domain Of Human Phosphodiesterase 1B | Descriptor: | Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B, MAGNESIUM ION, ZINC ION | Authors: | Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G. | Deposit date: | 2004-05-19 | Release date: | 2004-08-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases Mol.Cell, 15, 2004
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1UPF
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![BU of 1upf by Molmil](/molmil-images/mine/1upf) | STRUCTURE OF THE URACIL PHOSPHORIBOSYLTRANSFERASE, MUTANT C128V BOUND TO THE DRUG 5-FLUOROURACIL | Descriptor: | 5-FLUOROURACIL, SULFATE ION, URACIL PHOSPHORIBOSYLTRANSFERASE | Authors: | Schumacher, M.A, Carter, D, Scott, D, Roos, D, Ullman, B, Brennan, R.G. | Deposit date: | 1998-06-17 | Release date: | 1999-06-22 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structures of Toxoplasma gondii uracil phosphoribosyltransferase reveal the atomic basis of pyrimidine discrimination and prodrug binding. EMBO J., 17, 1998
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1ZK3
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![BU of 1zk3 by Molmil](/molmil-images/mine/1zk3) | Triclinic crystal structure of the apo-form of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis | Descriptor: | MAGNESIUM ION, R-specific alcohol dehydrogenase | Authors: | Schlieben, N.H, Niefind, K, Muller, J, Riebel, B, Hummel, W, Schomburg, D. | Deposit date: | 2005-05-02 | Release date: | 2005-06-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Atomic Resolution Structures of R-specific Alcohol Dehydrogenase from Lactobacillus brevis Provide the Structural Bases of its Substrate and Cosubstrate Specificity J.Mol.Biol., 349, 2005
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1ZK4
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![BU of 1zk4 by Molmil](/molmil-images/mine/1zk4) | Structure of R-specific alcohol dehydrogenase (wildtype) from Lactobacillus brevis in complex with acetophenone and NADP | Descriptor: | 1-PHENYLETHANONE, MAGNESIUM ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Schlieben, N.H, Niefind, K, Muller, J, Riebel, B, Hummel, W, Schomburg, D. | Deposit date: | 2005-05-02 | Release date: | 2005-06-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Atomic Resolution Structures of R-specific Alcohol Dehydrogenase from Lactobacillus brevis Provide the Structural Bases of its Substrate and Cosubstrate Specificity J.Mol.Biol., 349, 2005
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3Q2X
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1DDB
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![BU of 1ddb by Molmil](/molmil-images/mine/1ddb) | STRUCTURE OF MOUSE BID, NMR, 20 STRUCTURES | Descriptor: | PROTEIN (BID) | Authors: | Mcdonnell, J.M, Fushman, D, Milliman, C, Korsmeyer, S.J, Cowburn, D. | Deposit date: | 1999-02-19 | Release date: | 1999-08-30 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of the proapoptotic molecule BID: a structural basis for apoptotic agonists and antagonists. Cell(Cambridge,Mass.), 96, 1999
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1UBN
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![BU of 1ubn by Molmil](/molmil-images/mine/1ubn) | SELENOSUBTILISIN BPN | Descriptor: | CALCIUM ION, PROTEIN (SELENOSUBTILISIN BPN) | Authors: | McRee, D.E, McTigue, M, Hilvert, D. | Deposit date: | 1999-06-02 | Release date: | 1999-06-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Electric fields in active sites: substrate switching from null to strong fields in thiol- and selenol-subtilisins. Biochemistry, 38, 1999
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1ZK1
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![BU of 1zk1 by Molmil](/molmil-images/mine/1zk1) | Structure of R-specific alcohol dehydrogenase (mutant G37D) from Lactobacillus brevis in complex with phenylethanol and NAD | Descriptor: | 1-PHENYLETHANONE, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Schlieben, N.H, Niefind, K, Muller, J, Riebel, B, Hummel, W, Schomburg, D. | Deposit date: | 2005-05-02 | Release date: | 2005-06-21 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Atomic Resolution Structures of R-specific Alcohol Dehydrogenase from Lactobacillus brevis Provide the Structural Bases of its Substrate and Cosubstrate Specificity J.Mol.Biol., 349, 2005
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2L31
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![BU of 2l31 by Molmil](/molmil-images/mine/2l31) | Human PARP-1 zinc finger 2 | Descriptor: | Poly [ADP-ribose] polymerase 1, ZINC ION | Authors: | Neuhaus, D, Eustermann, S, Yang, J, Videler, H. | Deposit date: | 2010-08-30 | Release date: | 2011-02-02 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | The DNA-binding domain of human PARP-1 interacts with DNA single-strand breaks as a monomer through its second zinc finger. J.Mol.Biol., 407, 2011
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