6W35
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5C3R
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![BU of 5c3r by Molmil](/molmil-images/mine/5c3r) | Crystal structure of the full-length Neurospora crassa T7H in complex with alpha-KG and 5-hydroxymethyluracil (5hmU) | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, 5-HYDROXYMETHYL URACIL, ... | Authors: | Li, W, Zhang, T, Ding, J. | Deposit date: | 2015-06-17 | Release date: | 2015-10-21 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Molecular basis for the substrate specificity and catalytic mechanism of thymine-7-hydroxylase in fungi Nucleic Acids Res., 43, 2015
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6Z07
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![BU of 6z07 by Molmil](/molmil-images/mine/6z07) | PqsR (MvfR) in complex with antagonist 12 | Descriptor: | 3-[(2-~{tert}-butyl-1,3-thiazol-4-yl)methyl]-6-chloranyl-quinazolin-4-one, GLYCEROL, Transcriptional regulator MvfR | Authors: | Richardson, W.K, Emsley, J. | Deposit date: | 2020-05-07 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR. Eur.J.Med.Chem., 208, 2020
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1YBJ
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![BU of 1ybj by Molmil](/molmil-images/mine/1ybj) | Structural and Dynamics studies of both apo and holo forms of the hemophore HasA | Descriptor: | Hemophore HasA | Authors: | Wolff, N, Izadi-Pruneyre, N, Couprie, J, Habeck, M, Linge, J, Rieping, W, Wandersman, C, Nilges, M, Delepierre, M, Lecroisey, A. | Deposit date: | 2004-12-21 | Release date: | 2005-12-27 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Comparative analysis of structural and dynamic properties of the loaded and unloaded hemophore HasA: functional implications. J.Mol.Biol., 376, 2008
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1YJX
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![BU of 1yjx by Molmil](/molmil-images/mine/1yjx) | Crystal structure of human B type phosphoglycerate mutase | Descriptor: | CHLORIDE ION, CITRIC ACID, Phosphoglycerate mutase 1 | Authors: | Wang, Y, Wei, Z, Liu, L, Gong, W. | Deposit date: | 2005-01-16 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of human B-type phosphoglycerate mutase bound with citrate. Biochem.Biophys.Res.Commun., 331, 2005
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5YNV
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![BU of 5ynv by Molmil](/molmil-images/mine/5ynv) | Crystal structure of an aromatic prenyltransferase FAMD1 from Fischerella ambigua UTEX 1903 in complex with DMASPP | Descriptor: | DIMETHYLALLYL S-THIOLODIPHOSPHATE, GLYCEROL, aromatic prenyltransferase | Authors: | Wang, J, Liu, W.D, Chen, C.C, Guo, R.T. | Deposit date: | 2017-10-25 | Release date: | 2018-08-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural insight into a novel indole prenyltransferase in hapalindole-type alkaloid biosynthesis. Biochem. Biophys. Res. Commun., 495, 2018
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3FHJ
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![BU of 3fhj by Molmil](/molmil-images/mine/3fhj) | Independent saturation of three TrpRS subsites generates a partially-assembled state similar to those observed in molecular simulations | Descriptor: | ADENOSINE MONOPHOSPHATE, PHOSPHATE ION, TRYPTOPHAN, ... | Authors: | Laowanapiban, P, Kapustina, M, Vonrhein, C, Delarue, M, Koehl, P, Carter Jr, C.W. | Deposit date: | 2008-12-09 | Release date: | 2009-02-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Independent saturation of three TrpRS subsites generates a partially assembled state similar to those observed in molecular simulations. Proc.Natl.Acad.Sci.Usa, 106, 2009
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6Z5K
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![BU of 6z5k by Molmil](/molmil-images/mine/6z5k) | PqsR (MvfR) in complex with antagonist 18 | Descriptor: | 6-chloranyl-3-[(2-pentyl-2,3-dihydro-1,3-thiazol-4-yl)methyl]quinazolin-4-one, Transcriptional regulator MvfR | Authors: | Richardson, W.K, Emsley, J. | Deposit date: | 2020-05-26 | Release date: | 2020-09-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.201 Å) | Cite: | Novel quinazolinone inhibitors of the Pseudomonas aeruginosa quorum sensing transcriptional regulator PqsR. Eur.J.Med.Chem., 208, 2020
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1OGW
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![BU of 1ogw by Molmil](/molmil-images/mine/1ogw) | Synthetic Ubiquitin with fluoro-Leu at 50 and 67 | Descriptor: | UBIQUITIN | Authors: | Alexeev, D, Ramage, R, Young, D.W, Sawyer, L. | Deposit date: | 2003-05-13 | Release date: | 2003-05-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Synthesis, Structural and Biological Studies of Ubiquitin Mutants Containing (2S, 4S)-5-Fluoroleucine Residues Strategically Placed in the Hydrophobic Core Chembiochem, 4, 2003
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1YDA
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![BU of 1yda by Molmil](/molmil-images/mine/1yda) | STRUCTURAL BASIS OF INHIBITOR AFFINITY TO VARIANTS OF HUMAN CARBONIC ANHYDRASE II | Descriptor: | 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CARBONIC ANHYDRASE II, MERCURY (II) ION, ... | Authors: | Nair, S.K, Christianson, D.W. | Deposit date: | 1994-12-22 | Release date: | 1995-02-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis of inhibitor affinity to variants of human carbonic anhydrase II. Biochemistry, 34, 1995
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1YE9
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![BU of 1ye9 by Molmil](/molmil-images/mine/1ye9) | Crystal structure of proteolytically truncated catalase HPII from E. coli | Descriptor: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE, catalase HPII | Authors: | Loewen, P.C, Chelikani, P, Carpena, X, Fita, I, Perez-Luque, R, Donald, L.J, Switala, J, Duckworth, H.W. | Deposit date: | 2004-12-28 | Release date: | 2005-04-26 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Characterization of a Large Subunit Catalase Truncated by Proteolytic Cleavage(,) Biochemistry, 44, 2005
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5UED
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![BU of 5ued by Molmil](/molmil-images/mine/5ued) | RNA primer-template complex with guanosine dinucleotide ligand G(5')pp(5')G | Descriptor: | RNA (5'-R(*(LCC)P*(LCC)P*(LCC)P*GP*AP*CP*UP*UP*AP*AP*GP*UP*CP*G)-3'), [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | Authors: | Zhang, W, Tam, C.P, Szostak, J.W. | Deposit date: | 2017-01-01 | Release date: | 2017-07-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Insight into the mechanism of nonenzymatic RNA primer extension from the structure of an RNA-GpppG complex. Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7OPQ
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![BU of 7opq by Molmil](/molmil-images/mine/7opq) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CA1 in C188 | Descriptor: | 1-[(2~{S})-2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one, GLYCEROL, MAGNESIUM ION, ... | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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7OPR
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![BU of 7opr by Molmil](/molmil-images/mine/7opr) | Rab27a fusion with Slp2a-RBDa1 effector covalent adduct with CB1 in C123 | Descriptor: | GLYCEROL, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Jamshidiha, M, Tersa, M, Lanyon-Hogg, T, Perez-Dorado, I, Sutherell, C.L, De Vita, E, Morgan, R.M.L, Tate, E.W, Cota, E. | Deposit date: | 2021-06-01 | Release date: | 2022-04-06 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Identification of the first structurally validated covalent ligands of the small GTPase RAB27A. Rsc Med Chem, 13, 2022
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2C4B
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![BU of 2c4b by Molmil](/molmil-images/mine/2c4b) | Inhibitor cystine knot protein McoEeTI fused to the catalytically inactive barnase mutant H102A | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, BARNASE MCOEETI FUSION, ... | Authors: | Niemann, H.H, Schmoldt, H.U, Wentzel, A, Kolmar, H, Heinz, D.W. | Deposit date: | 2005-10-18 | Release date: | 2005-11-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Barnase Fusion as a Tool to Determine the Crystal Structure of the Small Disulfide-Rich Protein Mcoeeti. J.Mol.Biol., 356, 2006
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4E45
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![BU of 4e45 by Molmil](/molmil-images/mine/4e45) | Crystal structure of the hMHF1/hMHF2 Histone-Fold Tetramer in Complex with Fanconi Anemia Associated Helicase hFANCM | Descriptor: | Centromere protein S, Centromere protein X, Fanconi anemia group M protein, ... | Authors: | Fox III, D, Zhao, Y, Yang, W, Weidong, W. | Deposit date: | 2012-03-12 | Release date: | 2013-03-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures Reveal that FANCM remodels the MHF Tetramer in favor of binding Branched DNA To be Published
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3SZ5
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![BU of 3sz5 by Molmil](/molmil-images/mine/3sz5) | Crystal Structure of LHK-Exo in complex with 5-phosphorylated oligothymidine (dT)4 | Descriptor: | 5'-D(P*TP*TP*TP*T)-3', Exonuclease, MAGNESIUM ION | Authors: | Yang, W, Chen, W.Y, Wang, H, Zhang, Q, Zhou, W, Bartlam, M, Watt, R.M, Rao, Z. | Deposit date: | 2011-07-18 | Release date: | 2012-02-15 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural and functional insight into the mechanism of an alkaline exonuclease from Laribacter hongkongensis. Nucleic Acids Res., 39, 2011
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2E74
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![BU of 2e74 by Molmil](/molmil-images/mine/2e74) | Crystal Structure of the Cytochrome b6f Complex from M.laminosus | Descriptor: | (7R,17E)-4-HYDROXY-N,N,N,7-TETRAMETHYL-7-[(8E)-OCTADEC-8-ENOYLOXY]-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-17-EN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, Apocytochrome f, ... | Authors: | Cramer, W.A, Yamashita, E, Zhang, H. | Deposit date: | 2007-01-05 | Release date: | 2007-06-12 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure of the Cytochrome b(6)f Complex: Quinone Analogue Inhibitors as Ligands of Heme c(n) J.Mol.Biol., 370, 2007
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1PTF
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7PB4
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![BU of 7pb4 by Molmil](/molmil-images/mine/7pb4) | Cenp-HIK 3-protein complex | Descriptor: | Centromere protein H, Centromere protein I, Centromere protein K | Authors: | Bellini, D, Yatskevich, S, Muir, W.K, Barford, D. | Deposit date: | 2021-07-30 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Structure of the human inner kinetochore bound to a centromeric CENP-A nucleosome. Science, 376, 2022
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7P9J
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1XC1
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![BU of 1xc1 by Molmil](/molmil-images/mine/1xc1) | Oxo Zirconium(IV) Cluster in the Ferric Binding Protein (FBP) | Descriptor: | OXO ZIRCONIUM(IV) CLUSTER, periplasmic iron-binding protein | Authors: | Zhong, W, Alexeev, D, Harvey, I, Guo, M, Hunter, D.J.B, Zhu, H, Campopiano, D.J, Sadler, P.J. | Deposit date: | 2004-08-31 | Release date: | 2004-09-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Assembly of an Oxo-Zirconium(IV) Cluster in a Protein Cleft Angew.Chem.Int.Ed.Engl., 43, 2004
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7OC5
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![BU of 7oc5 by Molmil](/molmil-images/mine/7oc5) | Alpha-humulene synthase AsR6 from Sarocladium schorii | Descriptor: | Alpha-humulene synthase AsR6, MAGNESIUM ION, ZINC ION | Authors: | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | Deposit date: | 2021-04-26 | Release date: | 2021-07-07 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Understanding and Engineering the Stereoselectivity of Humulene Synthase. Angew.Chem.Int.Ed.Engl., 60, 2021
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1PWJ
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![BU of 1pwj by Molmil](/molmil-images/mine/1pwj) | Structure of the Monomeric 8-kDa Dynein Light Chain and Mechanism of Domain Swapped Dimer Assembly | Descriptor: | dynein light chain-2 | Authors: | Wang, W, Lo, K.W.-H, Kan, H.-M, Fan, J.-S, Zhang, M. | Deposit date: | 2003-07-02 | Release date: | 2003-10-21 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Structure of the Monomeric 8-kDa Dynein Light Chain and Mechanism of the Domain-swapped Dimer Assembly J.Biol.Chem., 278, 2003
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7OC6
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![BU of 7oc6 by Molmil](/molmil-images/mine/7oc6) | Selenomethionine derivative of alpha-humulene synthase AsR6 from Sarocladium schorii | Descriptor: | Alpha-humulene synthase asR6, GLYCEROL, SULFATE ION, ... | Authors: | Schotte, C, Lukat, P, Deuschmann, A, Blankenfeldt, W, Cox, R.J. | Deposit date: | 2021-04-26 | Release date: | 2021-07-07 | Last modified: | 2021-09-15 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Understanding and Engineering the Stereoselectivity of Humulene Synthase. Angew.Chem.Int.Ed.Engl., 60, 2021
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