1YNE
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![BU of 1yne by Molmil](/molmil-images/mine/1yne) | NMR structure of the apoB mRNA stem-loop and its interaction with the C to U editing APOBEC1 complementary factor | Descriptor: | APOLIPOPROTEIN B mRNA | Authors: | Maris, C, Masse, J, Allain, F.H, Chester, A, Navaratnam, N. | Deposit date: | 2005-01-24 | Release date: | 2005-02-08 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of the apoB mRNA stem-loop and its interaction with the C to U editing APOBEC1 complementary factor. Rna, 11, 2005
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1YPE
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![BU of 1ype by Molmil](/molmil-images/mine/1ype) | Thrombin Inhibitor Complex | Descriptor: | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE, GLYCEROL, Hirudin, ... | Authors: | Fokkens, J, Obst-Sander, U, Heine, A, Diederich, F, Klebe, G. | Deposit date: | 2005-01-31 | Release date: | 2006-01-17 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates Angew.Chem.Int.Ed.Engl., 45, 2006
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4Q2G
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![BU of 4q2g by Molmil](/molmil-images/mine/4q2g) | CRYSTAL STRUCTURE OF AN INTRAMEMBRANE CDP-DAG SYNTHETASE CENTRAL FOR PHOSPHOLIPID BIOSYNTHESIS (S200C/S223C, inactive mutant) | Descriptor: | MAGNESIUM ION, MERCURY (II) ION, Phosphatidate cytidylyltransferase, ... | Authors: | Liu, X, Yin, Y, Wu, J, Liu, Z. | Deposit date: | 2014-04-08 | Release date: | 2014-07-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure and mechanism of an intramembrane liponucleotide synthetase central for phospholipid biosynthesis Nat Commun, 5, 2014
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5F2E
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![BU of 5f2e by Molmil](/molmil-images/mine/5f2e) | Crystal Structure of small molecule ARS-853 covalently bound to K-Ras G12C | Descriptor: | 1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one, GLYCEROL, GLYCINE, ... | Authors: | Patricelli, M.P, Janes, M.R, Li, L.-S, Hansen, R, Peters, U, Kessler, L.V, Chen, Y, Kucharski, J.M, Feng, J, Ely, T, Chen, J.H, Firdaus, S.J, Babbar, A, Ren, P, Liu, Y. | Deposit date: | 2015-12-01 | Release date: | 2016-01-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Selective Inhibition of Oncogenic KRAS Output with Small Molecules Targeting the Inactive State. Cancer Discov, 6, 2016
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1YPK
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![BU of 1ypk by Molmil](/molmil-images/mine/1ypk) | Thrombin Inhibitor Complex | Descriptor: | 10-mer peptide from Acety-Hirudin(54-65) sulfated, Prothrombin heavy chain, Prothrombin light chain, ... | Authors: | Czodrowski, P, Sotriffer, C, Fokkens, J, Heine, A, Klebe, G. | Deposit date: | 2005-01-31 | Release date: | 2006-01-17 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A Simple Protocol To Estimate Differences in Protein Binding Affinity for Enantiomers without Prior Resolution of Racemates Angew.Chem.Int.Ed.Engl., 45, 2006
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5F4B
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![BU of 5f4b by Molmil](/molmil-images/mine/5f4b) | Structure of B. abortus WrbA-related protein A (WrpA) | Descriptor: | CHLORIDE ION, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone) | Authors: | Herrou, J, Czyz, D, Willett, J.W, Kim, H.S, Chhor, G, Endres, M, Babnigg, G, Kim, Y, Joachimiak, A, Crosson, S, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-12-03 | Release date: | 2016-03-09 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.498 Å) | Cite: | WrpA Is an Atypical Flavodoxin Family Protein under Regulatory Control of the Brucella abortus General Stress Response System. J.Bacteriol., 198, 2016
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8IOK
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![BU of 8iok by Molmil](/molmil-images/mine/8iok) | Crystal structure of AtHPPD-CLJ507 complex | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 6-[diethylcarbamoyl(methyl)amino]-N-(1-methyl-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)pyridine-3-carboxamide, COBALT (II) ION | Authors: | Dong, J, Yang, G.-F, Lin, H.-Y. | Deposit date: | 2023-03-11 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.991 Å) | Cite: | Crystal structure of human HPPD-NTBC complex To Be Published
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1YSG
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![BU of 1ysg by Molmil](/molmil-images/mine/1ysg) | Solution Structure of the Anti-apoptotic Protein Bcl-xL in Complex with "SAR by NMR" Ligands | Descriptor: | 4'-FLUORO-1,1'-BIPHENYL-4-CARBOXYLIC ACID, 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL, Apoptosis regulator Bcl-X | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | Deposit date: | 2005-02-08 | Release date: | 2005-06-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours Nature, 435, 2005
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1YSO
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![BU of 1yso by Molmil](/molmil-images/mine/1yso) | YEAST CU, ZN SUPEROXIDE DISMUTASE WITH THE REDUCED BRIDGE BROKEN | Descriptor: | COPPER (I) ION, YEAST CU, ZN SUPEROXIDE DISMUTASE, ... | Authors: | Parge, H.E, Crane, B.R, Tsang, J, Tainer, J.A. | Deposit date: | 1995-12-21 | Release date: | 1996-06-10 | Last modified: | 2018-03-21 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Unusual trigonal-planar copper configuration revealed in the atomic structure of yeast copper-zinc superoxide dismutase. Biochemistry, 35, 1996
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1YSW
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![BU of 1ysw by Molmil](/molmil-images/mine/1ysw) | Solution structure of the anti-apoptotic protein Bcl-2 complexed with an acyl-sulfonamide-based ligand | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2 | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | Deposit date: | 2005-02-09 | Release date: | 2005-06-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours Nature, 435, 2005
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1YUK
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![BU of 1yuk by Molmil](/molmil-images/mine/1yuk) | The crystal structure of the PSI/Hybrid domain/ I-EGF1 segment from the human integrin beta2 at 1.8 resolution | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, Integrin beta-2 A chain, Integrin beta-2 B chain | Authors: | Shi, M, Sundramurthy, K, Liu, B, Tan, S.M, Law, S.K, Lescar, J. | Deposit date: | 2005-02-14 | Release date: | 2005-07-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Crystal Structure of the Plexin-Semaphorin-Integrin Domain/Hybrid Domain/I-EGF1 Segment from the Human Integrin {beta}2 Subunit at 1.8-A Resolution J.Biol.Chem., 280, 2005
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8IMU
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![BU of 8imu by Molmil](/molmil-images/mine/8imu) | Dihydroxyacid dehydratase (DHAD) mutant-V497F | Descriptor: | ACETATE ION, Dihydroxy-acid dehydratase, chloroplastic, ... | Authors: | Zhou, J, Zang, X, Tang, Y, Yan, Y. | Deposit date: | 2023-03-07 | Release date: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.93 Å) | Cite: | Dihydroxyacid dehydratase (DHAD) mutant-V497F To Be Published
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7T0L
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![BU of 7t0l by Molmil](/molmil-images/mine/7t0l) | |
1YU8
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![BU of 1yu8 by Molmil](/molmil-images/mine/1yu8) | Crystal Structure of the R37A Mutant of Villin Headpiece | Descriptor: | Villin | Authors: | Meng, J, Vardar, D, Wang, Y, Guo, H.C, Head, J.F, McKnight, C.J. | Deposit date: | 2005-02-12 | Release date: | 2005-09-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | High-resolution crystal structures of villin headpiece and mutants with reduced F-actin binding activity. Biochemistry, 44, 2005
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1YNG
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![BU of 1yng by Molmil](/molmil-images/mine/1yng) | NMR structure of the apoB mRNA stem-loop and its interaction with the C to U editing APOBEC1 complementary factor | Descriptor: | apolipoprotein B mRNA | Authors: | Maris, C, Masse, J, Allain, F.H, Chester, A, Navaratnam, N. | Deposit date: | 2005-01-24 | Release date: | 2005-02-08 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | NMR structure of the apoB mRNA stem-loop and its interaction with the C to U editing APOBEC1 complementary factor. Rna, 11, 2005
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4QB4
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![BU of 4qb4 by Molmil](/molmil-images/mine/4qb4) | |
8IOW
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![BU of 8iow by Molmil](/molmil-images/mine/8iow) | |
8HY3
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![BU of 8hy3 by Molmil](/molmil-images/mine/8hy3) | |
1BR3
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![BU of 1br3 by Molmil](/molmil-images/mine/1br3) | CRYSTAL STRUCTURE OF AN 82-NUCLEOTIDE RNA-DNA COMPLEX FORMED BY THE 10-23 DNA ENZYME | Descriptor: | DNA (10-23 DNA ENZYME), RNA (5'-R(*GP*GP*AP*CP*AP*GP*AP*UP*GP*GP*GP*AP*G)-3') | Authors: | Nowakowski, J, Shim, P.J, Prasad, G.S, Stout, C.D, Joyce, G.F. | Deposit date: | 1998-08-13 | Release date: | 1999-02-23 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structure of an 82-nucleotide RNA-DNA complex formed by the 10-23 DNA enzyme. Nat.Struct.Biol., 6, 1999
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8HTR
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![BU of 8htr by Molmil](/molmil-images/mine/8htr) | Crystal structure of Bcl2 in complex with S-9c | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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8HTS
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![BU of 8hts by Molmil](/molmil-images/mine/8hts) | Crystal structure of Bcl2 in complex with S-10r | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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1YPG
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![BU of 1ypg by Molmil](/molmil-images/mine/1ypg) | Thrombin Inhibitor Complex | Descriptor: | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE, Hirudin, Thrombin heavy chain, ... | Authors: | Fokkens, J, Obst-Sander, U, Heine, A, Diederich, F, Klebe, G. | Deposit date: | 2005-01-31 | Release date: | 2006-01-17 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates Angew.Chem.Int.Ed.Engl., 45, 2006
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1YRP
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![BU of 1yrp by Molmil](/molmil-images/mine/1yrp) | |
1YSI
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![BU of 1ysi by Molmil](/molmil-images/mine/1ysi) | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | Descriptor: | Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | Deposit date: | 2005-02-08 | Release date: | 2005-06-07 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours Nature, 435, 2005
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7W5H
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![BU of 7w5h by Molmil](/molmil-images/mine/7w5h) | The structure of trichobrasilenol synthase TaTC6 in complex with FsPP | Descriptor: | GLYCEROL, MAGNESIUM ION, MALONATE ION, ... | Authors: | Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R. | Deposit date: | 2021-11-30 | Release date: | 2022-08-31 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural insights into the cyclization of unusual brasilane-type sesquiterpenes. Int.J.Biol.Macromol., 209, 2022
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