1Y77
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![BU of 1y77 by Molmil](/molmil-images/mine/1y77) | Complete RNA Polymerase II elongation complex with substrate analogue GMPCPP | Descriptor: | 5'-D(*AP*AP*GP*TP*AP*CP*T)-3', 5'-D(P*AP*GP*TP*AP*CP*TP*TP*AP*CP*T*CP*GP*CP*CP*TP*GP*GP*TP*CP*TP*G)-3', 5'-R(*AP*AP*GP*AP*CP*CP*AP*GP*GP*C)-3', ... | Authors: | Kettenberger, H, Armache, K.-J, Cramer, P. | Deposit date: | 2004-12-08 | Release date: | 2005-01-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Complete RNA Polymerase II Elongation Complex Structure and Its Interactions with NTP and TFIIS Mol.Cell, 16, 2004
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6RWI
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![BU of 6rwi by Molmil](/molmil-images/mine/6rwi) | Fragment AZ-002 binding at the p53pT387/14-3-3 sigma interface | Descriptor: | 14-3-3 protein sigma, 5-phenylthiophene-2-carboximidamide, CALCIUM ION, ... | Authors: | Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C. | Deposit date: | 2019-06-05 | Release date: | 2020-06-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Fragment-based Differential Targeting of PPI Stabilizer Interfaces. J.Med.Chem., 63, 2020
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8VPZ
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![BU of 8vpz by Molmil](/molmil-images/mine/8vpz) | UIC-1-BPE1MER mutation of UIC-1-cap | Descriptor: | METHANOL, UIC-1-BPE1MER | Authors: | Ganatra, P. | Deposit date: | 2024-01-17 | Release date: | 2024-08-07 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons. J.Am.Chem.Soc., 2024
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1A9N
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5NUG
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![BU of 5nug by Molmil](/molmil-images/mine/5nug) | Motor domains from human cytoplasmic dynein-1 in the phi-particle conformation | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Cytoplasmic dynein 1 heavy chain 1, ... | Authors: | Zhang, K, Foster, H.E, Carter, A.P. | Deposit date: | 2017-04-30 | Release date: | 2017-06-28 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM Reveals How Human Cytoplasmic Dynein Is Auto-inhibited and Activated. Cell, 169, 2017
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8VP7
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![BU of 8vp7 by Molmil](/molmil-images/mine/8vp7) | UIC-13-BIF-A4(Dab) extension of UIC-1 | Descriptor: | ACETONITRILE, UIC-13-BIF-A4(Dab) | Authors: | Ganatra, P. | Deposit date: | 2024-01-16 | Release date: | 2024-08-07 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons. J.Am.Chem.Soc., 2024
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7X3L
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![BU of 7x3l by Molmil](/molmil-images/mine/7x3l) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044 | Descriptor: | (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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3B9R
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![BU of 3b9r by Molmil](/molmil-images/mine/3b9r) | SERCA Ca2+-ATPase E2 aluminium fluoride complex without thapsigargin | Descriptor: | MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, POTASSIUM ION, ... | Authors: | Olesen, C, Picard, M, Winther, A.M.L, Morth, J.P, Moller, J.V, Nissen, P. | Deposit date: | 2007-11-06 | Release date: | 2007-12-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The structural basis of calcium transport by the calcium pump Nature, 450, 2007
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8W1V
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![BU of 8w1v by Molmil](/molmil-images/mine/8w1v) | The beta2 adrenergic receptor bound to a bitopic ligand | Descriptor: | (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Endolysin, Lauryl Maltose Neopentyl Glycol, ... | Authors: | Gaiser, B, Danielsen, M, Xu, X, Jorgensen, K, Fronik, P, Marcher-Rorsted, E, Wrobe, T, Hirata, K, Liu, X, Mathiesen, J, Pedersen, D. | Deposit date: | 2024-02-19 | Release date: | 2024-07-17 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Bitopic Ligands Support the Presence of a Metastable Binding Site at the beta 2 Adrenergic Receptor. J.Med.Chem., 67, 2024
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3URB
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![BU of 3urb by Molmil](/molmil-images/mine/3urb) | Crystal Structure of PTE mutant H254G/H257W/L303T/M317L/I106C/F132I/L271I/K185R/I274N/A80V/R67H | Descriptor: | COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, IMIDAZOLE, ... | Authors: | Tsai, P, Fox, N.G, Li, Y, Barondeau, D.P, Raushel, F.M. | Deposit date: | 2011-11-21 | Release date: | 2012-08-01 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Enzymes for the homeland defense: optimizing phosphotriesterase for the hydrolysis of organophosphate nerve agents. Biochemistry, 51, 2012
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8VSF
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![BU of 8vsf by Molmil](/molmil-images/mine/8vsf) | UIC-13-BPE extension of UIC-1 | Descriptor: | ACETONITRILE, UIC-13-BPE | Authors: | Ganatra, P. | Deposit date: | 2024-01-24 | Release date: | 2024-08-07 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (1.11 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons. J.Am.Chem.Soc., 2024
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6S0A
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![BU of 6s0a by Molmil](/molmil-images/mine/6s0a) | Crystal Structure of Properdin (TSR domains N12 & 456) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Properdin, alpha-D-mannopyranose, ... | Authors: | van den Bos, R.M, Pearce, N.M, Gros, P. | Deposit date: | 2019-06-14 | Release date: | 2019-09-04 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Insights Into Enhanced Complement Activation by Structures of Properdin and Its Complex With the C-Terminal Domain of C3b. Front Immunol, 10, 2019
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7X3M
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![BU of 7x3m by Molmil](/molmil-images/mine/7x3m) | Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045 | Descriptor: | (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H. | Deposit date: | 2022-03-01 | Release date: | 2023-03-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment. J.Med.Chem., 66, 2023
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4NYB
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![BU of 4nyb by Molmil](/molmil-images/mine/4nyb) | Crystal structure of the E. coli thiM riboswitch in complex with (4-(1,2,3-thiadiazol-4-yl)phenyl)methanamine | Descriptor: | 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Warner, K.D, Homan, P, Weeks, K.M, Smith, A.G, Abell, C, Ferre-D'Amare, A.R. | Deposit date: | 2013-12-10 | Release date: | 2014-06-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Validating Fragment-Based Drug Discovery for Biological RNAs: Lead Fragments Bind and Remodel the TPP Riboswitch Specifically. Chem.Biol., 21, 2014
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1A42
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![BU of 1a42 by Molmil](/molmil-images/mine/1a42) | HUMAN CARBONIC ANHYDRASE II COMPLEXED WITH BRINZOLAMIDE | Descriptor: | (4R)-2-(2-ethoxyethyl)-4-(ethylamino)-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Boriack-Sjodin, P.A, Christianson, D.W. | Deposit date: | 1998-02-10 | Release date: | 1999-03-23 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structures of murine carbonic anhydrase IV and human carbonic anhydrase II complexed with brinzolamide: molecular basis of isozyme-drug discrimination. Protein Sci., 7, 1998
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5FON
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![BU of 5fon by Molmil](/molmil-images/mine/5fon) | Crystal structure of the Cryptosporidium muris cytosolic leucyl-tRNA synthetase editing domain (apo structure) | Descriptor: | LEUCYL-TRNA SYNTHETASE | Authors: | Palencia, A, Liu, R.J, Lukarska, M, Gut, J, Bougdour, A, Touquet, B, Wang, E.D, Alley, M.R.K, Rosenthal, P.J, Hakimi, M.A, Cusack, S. | Deposit date: | 2015-11-24 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Cryptosporidium and Toxoplasma Parasites are Inhibited by a Benzoxaborole Targeting Leucyl-tRNA Synthetase. Antimicrob.Agents Chemother., 60, 2016
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6S0U
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![BU of 6s0u by Molmil](/molmil-images/mine/6s0u) | The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
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1YEB
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![BU of 1yeb by Molmil](/molmil-images/mine/1yeb) | |
1Y7D
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![BU of 1y7d by Molmil](/molmil-images/mine/1y7d) | |
8QFG
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![BU of 8qfg by Molmil](/molmil-images/mine/8qfg) | Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC after 5 seconds of blue light illumination | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | Deposit date: | 2023-09-04 | Release date: | 2023-11-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC. J.Mol.Biol., 436, 2024
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6S3F
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![BU of 6s3f by Molmil](/molmil-images/mine/6s3f) | Moringa seed protein Mo-CBP3-4 | Descriptor: | 2S albumin, CHLORIDE ION, FORMIC ACID, ... | Authors: | Moulin, M, Mossou, E, Mitchell, E.P, Haertlein, M, Forsyth, V.T, Rennie, A.R. | Deposit date: | 2019-06-25 | Release date: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Towards a molecular understanding of the water purification properties of Moringa seed proteins. J Colloid Interface Sci, 554, 2019
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8VPE
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![BU of 8vpe by Molmil](/molmil-images/mine/8vpe) | UIC-10-BIF extension of UIC-1 | Descriptor: | ACETONITRILE, UIC-10-BIF | Authors: | Ganatra, P. | Deposit date: | 2024-01-16 | Release date: | 2024-08-07 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (0.91 Å) | Cite: | Diverse Proteomimetic Frameworks via Rational Design of pi-Stacking Peptide Tectons. J.Am.Chem.Soc., 2024
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8QFF
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![BU of 8qff by Molmil](/molmil-images/mine/8qff) | Cryogenic crystal structure of the Photoactivated Adenylate Cyclase OaPAC with ATP bound | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Family 3 adenylate cyclase, ... | Authors: | Chretien, A, Nagel, M.F, Botha, S, de Wijn, R, Brings, L, Doerner, K, Han, H, C.P.Koliyadu, J, Letrun, R, Round, A, Sato, T, Schmidt, C, Secareanu, R, von Stetten, D, Vakili, M, Wrona, A, Bean, R, Mancuso, A, Schulz, J, R.Pearson, A, Kottke, T, Lorenzen, K, Schubert, R. | Deposit date: | 2023-09-11 | Release date: | 2023-11-01 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Light-induced Trp in /Met out Switching During BLUF Domain Activation in ATP-bound Photoactivatable Adenylate Cyclase OaPAC. J.Mol.Biol., 436, 2024
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5VHT
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![BU of 5vht by Molmil](/molmil-images/mine/5vht) | E. coli chorismate mutase with orthogonal interface containing p-benzoyl phenylalanine | Descriptor: | Chorismate Mutase | Authors: | Koh, M, Nasertorabi, F, Han, G.W, Stevens, R.C, Shultz, P.G. | Deposit date: | 2017-04-13 | Release date: | 2017-05-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Generation of an Orthogonal Protein-Protein Interface with a Noncanonical Amino Acid. J. Am. Chem. Soc., 139, 2017
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5FNS
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![BU of 5fns by Molmil](/molmil-images/mine/5fns) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | (3s)-{4-Chloro-3-[(N-methylmethanesulfonamido) methyl]phenyl}-3-(1-methyl-1H-1,2,3-benzotriazol-5-yl) propanoic acid, CHLORIDE ION, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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