6SU7
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![BU of 6su7 by Molmil](/molmil-images/mine/6su7) | Complex between a UDP-glucosyltransferase from Polygonum tinctorium capable of glucosylating indoxyl and 3,4-Dichloroaniline | Descriptor: | 3,4-Dichloroaniline, Glycosyltransferase | Authors: | Fredslund, F, Teze, D, Svensson, B, Adams, P.D, Welner, D.H. | Deposit date: | 2019-09-13 | Release date: | 2020-09-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | O-/N-/S-Specificity in Glycosyltransferase Catalysis: From Mechanistic Understanding to Engineering Acs Catalysis, 11, 2021
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1O4A
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![BU of 1o4a by Molmil](/molmil-images/mine/1o4a) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH RU82197. | Descriptor: | 4-[2-ACETYLAMINO-2-(1-BIPHENYL-4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)-ETHYL]-2-FORMYL-BENZOIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
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6B08
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![BU of 6b08 by Molmil](/molmil-images/mine/6b08) | Crystal structure of Pfs25 in complex with the transmission blocking antibody 1276 | Descriptor: | 1276 antibody, heavy chain, light chain, ... | Authors: | Scally, S.W, McLeod, B, Bosch, A, King, C.R, Julien, J.P. | Deposit date: | 2017-09-14 | Release date: | 2017-11-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Molecular definition of multiple sites of antibody inhibition of malaria transmission-blocking vaccine antigen Pfs25. Nat Commun, 8, 2017
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6B1B
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![BU of 6b1b by Molmil](/molmil-images/mine/6b1b) | STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI MUTANT XS6 (APO Enzyme) | Descriptor: | 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, trimethylamine oxide | Authors: | Zhou, D, Kandavelu, P, Wang, B.C, Yan, Y, Rose, J.P. | Deposit date: | 2017-09-18 | Release date: | 2019-05-22 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.944 Å) | Cite: | Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli. Sci Rep, 9, 2019
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8IYF
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![BU of 8iyf by Molmil](/molmil-images/mine/8iyf) | |
8IYE
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![BU of 8iye by Molmil](/molmil-images/mine/8iye) | |
1U2A
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2IVS
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![BU of 2ivs by Molmil](/molmil-images/mine/2ivs) | Crystal structure of non-phosphorylated RET tyrosine kinase domain | Descriptor: | 2',3'- cyclic AMP, FORMIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET | Authors: | Knowles, P.P, Murray-Rust, J, McDonald, N.Q. | Deposit date: | 2006-06-16 | Release date: | 2006-08-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and Chemical Inhibition of the Ret Tyrosine Kinase Domain. J.Biol.Chem., 281, 2006
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2WFU
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![BU of 2wfu by Molmil](/molmil-images/mine/2wfu) | Crystal structure of DILP5 variant DB | Descriptor: | PROBABLE INSULIN-LIKE PEPTIDE 5 A CHAIN, PROBABLE INSULIN-LIKE PEPTIDE 5 B CHAIN | Authors: | Kulahin, N, Schluckebier, G, Sajid, W, De Meyts, P. | Deposit date: | 2009-04-15 | Release date: | 2010-05-26 | Last modified: | 2012-04-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural and Biological Properties of the Drosophila Insulin-Like Peptide 5 Show Evolutionary Conservation. J.Biol.Chem., 286, 2011
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7LAP
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![BU of 7lap by Molmil](/molmil-images/mine/7lap) | Crystal structure of aminoglycoside acetyltransferase AAC(3)-Xa | Descriptor: | Aminoglycoside N(3)-acetyltransferase, CHLORIDE ION, D(-)-TARTARIC ACID, ... | Authors: | Stogios, P.J, Skarina, T, Kim, Y, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-01-06 | Release date: | 2021-02-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family. Commun Biol, 5, 2022
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6FJM
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![BU of 6fjm by Molmil](/molmil-images/mine/6fjm) | tubulin-Disorazole Z complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Disorazole Z, ... | Authors: | Menchon, G, Prota, A.E, Lucena Agell, D, Bucher, P, Jansen, R, Irschik, H, Mueller, R, Paterson, I, Diaz, J.F, Altmann, K.-H, Steinmetz, M.O. | Deposit date: | 2018-01-22 | Release date: | 2018-05-30 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A fluorescence anisotropy assay to discover and characterize ligands targeting the maytansine site of tubulin. Nat Commun, 9, 2018
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7AIK
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![BU of 7aik by Molmil](/molmil-images/mine/7aik) | Ribonucleotide Reductase R2 protein from Aquifex aeolicus | Descriptor: | FE (II) ION, Ribonucleoside-diphosphate reductase subunit beta,Ribonucleoside-diphosphate reductase subunit beta | Authors: | Rehling, D, Scaletti, E.R, Stenmark, P. | Deposit date: | 2020-09-27 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and Biochemical Investigation of Class I Ribonucleotide Reductase from the Hyperthermophile Aquifex aeolicus. Biochemistry, 61, 2022
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2WG2
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![BU of 2wg2 by Molmil](/molmil-images/mine/2wg2) | NON-AGED CONJUGATE OF TORPEDO CALIFORNICA ACETYLCHOLINESTERASE WITH SOMAN (ALTERNATIVE REFINEMENT) | Descriptor: | (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Sanson, B, Nachon, F, Colletier, J.P, Froment, M.T, Toker, L, Greenblatt, H.M, Sussman, J.L, Ashani, Y, Masson, P, Silman, I, Weik, M. | Deposit date: | 2009-04-15 | Release date: | 2010-04-21 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystallographic Snapshots of Nonaged and Aged Conjugates of Soman with Acetylcholinesterase, and of a Ternary Complex of the Aged Conjugate with Pralidoxime. J.Med.Chem., 52, 2009
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6T07
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![BU of 6t07 by Molmil](/molmil-images/mine/6t07) | Crystal structure of YTHDC1 with fragment 20 (DHU_DC1_134) | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N}-[(2~{S})-pyrrolidin-2-yl]-1~{H}-1,2,4-triazol-5-amine | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-02 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6ODL
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![BU of 6odl by Molmil](/molmil-images/mine/6odl) | Crystal structure of GluN2A agonist binding domain with 4-butyl-(S)-CCG-IV | Descriptor: | (1S,2R)-2-[(S)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid, Glutamate receptor ionotropic, NMDA 2A,Glutamate receptor ionotropic, ... | Authors: | Mou, T.C, Clausen, R.P, Sprang, S.R, Hansen, K.B. | Deposit date: | 2019-03-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Stereoselective synthesis of novel 2'-(S)-CCG-IV analogues as potent NMDA receptor agonists. Eur.J.Med.Chem., 212, 2021
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3ZWS
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![BU of 3zws by Molmil](/molmil-images/mine/3zws) | Structure of Human Dihydroorotate Dehydrogenase with a Bound Inhibitor | Descriptor: | 2-[(2,5-DICHLOROBENZYL)SULFANYL]-5-METHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-OL, ACETATE ION, CHLORIDE ION, ... | Authors: | Acklam, P.A, Parsons, M.R. | Deposit date: | 2011-08-02 | Release date: | 2012-06-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Factors Influencing the Specificity of Inhibitor Binding to the Human and Malaria Parasite Dihydroorotate Dehydrogenases. J.Med.Chem., 55, 2012
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7ARZ
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![BU of 7arz by Molmil](/molmil-images/mine/7arz) | Ternary complex of NAD-dependent formate dehydrogenase from Physcomitrium patens | Descriptor: | AZIDE ION, Formate dehydrogenase, mitochondrial, ... | Authors: | Goryaynova, D.A, Nikolaeva, A.Y, Pometun, A.A, Savin, S.S, Parshin, P.D, Popov, V.O, Tishkov, V.I, Boyko, K.M. | Deposit date: | 2020-10-26 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Ternary complex of NAD-dependent formate dehydrogenase from Physcomitrium patens To Be Published
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6ETG
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![BU of 6etg by Molmil](/molmil-images/mine/6etg) | Crystal structure of KDM4D with tetrazolhydrazide compound 6 | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysine-specific demethylase 4D, ... | Authors: | Malecki, P.H, Link, A, Weiss, M.S, Heinemann, U. | Deposit date: | 2017-10-26 | Release date: | 2019-02-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.279 Å) | Cite: | Structure-Based Screening of Tetrazolylhydrazide Inhibitors versus KDM4 Histone Demethylases. Chemmedchem, 14, 2019
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6BFO
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![BU of 6bfo by Molmil](/molmil-images/mine/6bfo) | Caspase-3 Mutant- T245D | Descriptor: | AC-ASP-GLU-VAL-ASP-CMK, AZIDE ION, Caspase-3, ... | Authors: | Thomas, M.E, Grinshpon, R, Swartz, P.D, Clark, A.C. | Deposit date: | 2017-10-26 | Release date: | 2018-02-21 | Last modified: | 2018-04-25 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Modifications to a common phosphorylation network provide individualized control in caspases. J. Biol. Chem., 293, 2018
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6T0X
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![BU of 6t0x by Molmil](/molmil-images/mine/6t0x) | Crystal structure of YTHDC1 with fragment 22 (ACA_DC1_001) | Descriptor: | (3~{S})-~{N}-methylpyrrolidine-3-carboxamide, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-03 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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6T11
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![BU of 6t11 by Molmil](/molmil-images/mine/6t11) | Crystal structure of YTHDC1 with fragment 29 (DHU_DC1_218) | Descriptor: | N-methyl-1H-indole-7-carboxamide, SULFATE ION, YTHDC1 | Authors: | Bedi, R.K, Huang, D, Sledz, P, Caflisch, A. | Deposit date: | 2019-10-03 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Selectively Disrupting m6A-Dependent Protein-RNA Interactions with Fragments. Acs Chem.Biol., 15, 2020
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1O4L
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![BU of 1o4l by Molmil](/molmil-images/mine/1o4l) | CRYSTAL STRUCTURE OF SH2 IN COMPLEX WITH FRAGMENT2. | Descriptor: | CITRIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE SRC | Authors: | Lange, G, Loenze, P, Liesum, A. | Deposit date: | 2003-06-15 | Release date: | 2004-02-17 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Requirements for specific binding of low affinity inhibitor fragments to the SH2 domain of (pp60)Src are identical to those for high affinity binding of full length inhibitors. J.Med.Chem., 46, 2003
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8JEX
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![BU of 8jex by Molmil](/molmil-images/mine/8jex) | Cryo-EM structure of alpha-synuclein gS87 fibril | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-synuclein, unverified amino acid chain | Authors: | Xia, W.C, Sun, Y.P, Liu, C. | Deposit date: | 2023-05-16 | Release date: | 2024-04-17 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Phosphorylation and O-GlcNAcylation at the same alpha-synuclein site generate distinct fibril structures. Nat Commun, 15, 2024
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5DGJ
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![BU of 5dgj by Molmil](/molmil-images/mine/5dgj) | 1.0A resolution structure of Norovirus 3CL protease in complex an oxadiazole-based, cell permeable macrocyclic (20-mer) inhibitor | Descriptor: | 3C-LIKE PROTEASE, tert-butyl [(4S,7S,10S)-7-(cyclohexylmethyl)-10-(hydroxymethyl)-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Damalanka, V.C, Kim, Y, Alliston, K.R, Weerawarna, P.M, Kankanamalage, A.C.G, Lushington, G.H, Chang, K.-O, Groutas, W.C. | Deposit date: | 2015-08-27 | Release date: | 2016-02-10 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Oxadiazole-Based Cell Permeable Macrocyclic Transition State Inhibitors of Norovirus 3CL Protease. J.Med.Chem., 59, 2016
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6OM5
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![BU of 6om5 by Molmil](/molmil-images/mine/6om5) | Structure of a haemophore from Haemophilus haemolyticus | Descriptor: | CHLORIDE ION, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Torrado, M, Walshe, J.L, Mackay, J.P, Guss, J.M, Gell, D.A. | Deposit date: | 2019-04-18 | Release date: | 2019-12-04 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A heme-binding protein produced by Haemophilus haemolyticus inhibits non-typeable Haemophilus influenzae. Mol.Microbiol., 113, 2020
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