4R0Q
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![BU of 4r0q by Molmil](/molmil-images/mine/4r0q) | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cephalothin | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CEPHALOTHIN GROUP, Peptidoglycan glycosyltransferase, ... | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-08-01 | Release date: | 2014-08-27 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cephalothin To be Published
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4R1G
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![BU of 4r1g by Molmil](/molmil-images/mine/4r1g) | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cloxacillin | Descriptor: | CLOXACILLIN (OPEN FORM), Peptidoglycan glycosyltransferase | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Clancy, S, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-08-05 | Release date: | 2014-08-27 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Structure of a putative peptidoglycan glycosyltransferase from Atopobium parvulum in complex with cloxacillin To be Published
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5JUB
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![BU of 5jub by Molmil](/molmil-images/mine/5jub) | Crystal structure of ComR from S.thermophilus in complex with DNA and its signalling peptide ComS. | Descriptor: | ComS, Transcriptional regulator, pComX-for, ... | Authors: | Talagas, A, Fontaine, L, Ledesma-Garcia, L, Li de la Sierra-Gallay, I, Hols, P, Nessler, S. | Deposit date: | 2016-05-10 | Release date: | 2016-10-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Structural Insights into Streptococcal Competence Regulation by the Cell-to-Cell Communication System ComRS. PLoS Pathog., 12, 2016
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8AEP
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![BU of 8aep by Molmil](/molmil-images/mine/8aep) | Reductase domain of the carboxylate reductase of Neurospora crassa | Descriptor: | Acetyl-CoA synthetase-like protein, CHLORIDE ION, SULFATE ION | Authors: | Daniel, B, Schrufer, A, Marlene, L, Sagmeister, T, Pavkov-Keller, T. | Deposit date: | 2022-07-13 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of the Reductase Domain of a Fungal Carboxylic Acid Reductase and Its Substrate Scope in Thioester and Aldehyde Reduction. Acs Catalysis, 12, 2022
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5JUF
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![BU of 5juf by Molmil](/molmil-images/mine/5juf) | Crystal structure of the apo form of ComR from S. thermophilus. | Descriptor: | SULFATE ION, Transcriptional regulator | Authors: | Talagas, A, Fontaine, L, Ledesma, L, Li de la Sierra-Gallay, I, Hols, P, Nessler, S. | Deposit date: | 2016-05-10 | Release date: | 2016-10-26 | Last modified: | 2016-12-14 | Method: | X-RAY DIFFRACTION (1.946 Å) | Cite: | Structural Insights into Streptococcal Competence Regulation by the Cell-to-Cell Communication System ComRS. PLoS Pathog., 12, 2016
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4R2N
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![BU of 4r2n by Molmil](/molmil-images/mine/4r2n) | Crystal structure of Rv3772 in complex with its substrate | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, PHENYLALANINE, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Nasir, N, Anant, A, Vyas, R, Biswal, B.K. | Deposit date: | 2014-08-12 | Release date: | 2015-08-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Crystal structures of Mycobacterium tuberculosis HspAT and ArAT reveal structural basis of their distinct substrate specificities Sci Rep, 6, 2016
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8AQW
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![BU of 8aqw by Molmil](/molmil-images/mine/8aqw) | BA.4/5 SARS-CoV-2 Spike bound to mouse ACE2 (local) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, ... | Authors: | Lau, K, Ni, D, Beckert, B, Nazarov, S, Myasnikov, A, Pojer, F, Stahlberg, H, Uchikawa, E. | Deposit date: | 2022-08-13 | Release date: | 2023-03-15 | Last modified: | 2023-04-19 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures and binding of mouse and human ACE2 to SARS-CoV-2 variants of concern indicate that mutations enabling immune escape could expand host range. Plos Pathog., 19, 2023
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3JYO
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![BU of 3jyo by Molmil](/molmil-images/mine/3jyo) | Quinate dehydrogenase from Corynebacterium glutamicum in complex with NAD | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Quinate/shikimate dehydrogenase | Authors: | Hoeppner, A, Niefind, K, Schomburg, D. | Deposit date: | 2009-09-22 | Release date: | 2010-10-27 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Enzyme-substrate complexes of the quinate/shikimate dehydrogenase from Corynebacterium glutamicum enable new insights in substrate and cofactor binding, specificity, and discrimination. Biol.Chem., 394, 2013
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5K7E
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![BU of 5k7e by Molmil](/molmil-images/mine/5k7e) | The structure of pistol ribozyme, soaked with Mn2+ | Descriptor: | DNA/RNA 11-MER, MANGANESE (II) ION, RNA 47-MER | Authors: | Ren, A, Patel, D. | Deposit date: | 2016-05-26 | Release date: | 2016-07-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.27 Å) | Cite: | Pistol ribozyme adopts a pseudoknot fold facilitating site-specific in-line cleavage. Nat.Chem.Biol., 12, 2016
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1A4Q
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![BU of 1a4q by Molmil](/molmil-images/mine/1a4q) | INFLUENZA VIRUS B/BEIJING/1/87 NEURAMINIDASE COMPLEXED WITH DIHYDROPYRAN-PHENETHYL-PROPYL-CARBOXAMIDE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-ACETYLAMINO-4-AMINO-6-(PHENETHYL-PROPYL-CARBAMOYL)-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID, CALCIUM ION, ... | Authors: | Cleasby, A, Singh, O, Skarzynski, T, Wonacott, A.J. | Deposit date: | 1998-01-30 | Release date: | 1999-03-02 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Dihydropyrancarboxamides related to zanamivir: a new series of inhibitors of influenza virus sialidases. 2. Crystallographic and molecular modeling study of complexes of 4-amino-4H-pyran-6-carboxamides and sialidase from influenza virus types A and B. J.Med.Chem., 41, 1998
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2CMY
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![BU of 2cmy by Molmil](/molmil-images/mine/2cmy) | Crystal complex between bovine trypsin and Veronica hederifolia trypsin inhibitor | Descriptor: | CALCIUM ION, CATIONIC TRYPSIN, GLYCEROL, ... | Authors: | Conners, R, Yardley, J.L, Konarev, A, Shewry, P, Brady, R.L. | Deposit date: | 2006-05-16 | Release date: | 2007-05-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | An Unusual Helix-Turn-Helix Protease Inhibitory Motif in a Novel Trypsin Inhibitor from Seeds of Veronica (Veronica Hederifolia L.). J.Biol.Chem., 282, 2007
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7O6S
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![BU of 7o6s by Molmil](/molmil-images/mine/7o6s) | Crystal structure of a shortened IpgC variant in complex with N-(2H-1,3-benzodioxol-5-ylmethyl)cyclopentanamine | Descriptor: | CHLORIDE ION, Chaperone protein IpgC, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gardonyi, M, Heine, A, Klebe, G. | Deposit date: | 2021-04-12 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystal structure of a shortened IpgC variant in complex with N-(2H-1,3-benzodioxol-5-ylmethyl)cyclopentanamine To be published
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5JS3
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![BU of 5js3 by Molmil](/molmil-images/mine/5js3) | Thermolysin in complex with JC114. | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Krimmer, S.G, Cramer, J, Heine, A, Klebe, G. | Deposit date: | 2016-05-07 | Release date: | 2016-12-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Rational Design of Thermodynamic and Kinetic Binding Profiles by Optimizing Surface Water Networks Coating Protein-Bound Ligands. J. Med. Chem., 59, 2016
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4R02
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![BU of 4r02 by Molmil](/molmil-images/mine/4r02) | yCP in complex with BSc4999 (alpha-Keto Phenylamide) | Descriptor: | MAGNESIUM ION, N-[(benzyloxy)carbonyl]-L-leucyl-N-{(2S,3S)-1-[(2,4-dimethylphenyl)amino]-2-hydroxy-5-methyl-1-oxohexan-3-yl}-L-leucinamide, Probable proteasome subunit alpha type-7, ... | Authors: | Voss, C, Scholz, C, Knorr, S, Beck, P, Stein, M, Zall, A, Kuckelkorn, U, Kloetzel, P.-M, Groll, M, Hamacher, K, Schmidt, B. | Deposit date: | 2014-07-29 | Release date: | 2014-08-13 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | alpha-Keto Phenylamides as P1'-Extended Proteasome Inhibitors. Chemmedchem, 9, 2014
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5JTA
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![BU of 5jta by Molmil](/molmil-images/mine/5jta) | |
3R9D
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![BU of 3r9d by Molmil](/molmil-images/mine/3r9d) | CDK2 in complex with inhibitor RC-2-135 | Descriptor: | 4-amino-N-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2 | Authors: | Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. | Deposit date: | 2011-03-25 | Release date: | 2012-10-31 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
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4R82
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![BU of 4r82 by Molmil](/molmil-images/mine/4r82) | Streptomyces globisporus C-1027 NADH:FAD oxidoreductase SgcE6 in complex with NAD and FAD fragments | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tan, K, Bigelow, L, Clancy, S, Babnigg, G, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2014-08-29 | Release date: | 2014-10-01 | Last modified: | 2016-11-02 | Method: | X-RAY DIFFRACTION (1.659 Å) | Cite: | Crystal Structures of SgcE6 and SgcC, the Two-Component Monooxygenase That Catalyzes Hydroxylation of a Carrier Protein-Tethered Substrate during the Biosynthesis of the Enediyne Antitumor Antibiotic C-1027 in Streptomyces globisporus. Biochemistry, 55, 2016
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5K0C
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![BU of 5k0c by Molmil](/molmil-images/mine/5k0c) | Crystal Structure of COMT in complex with 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole | Descriptor: | 1,2-ETHANEDIOL, 2,4-dimethyl-5-[3-(2-phenylpropan-2-yl)-1H-pyrazol-5-yl]-1,3-thiazole, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ... | Authors: | Ehler, A, Rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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4R9P
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![BU of 4r9p by Molmil](/molmil-images/mine/4r9p) | An Expansion to the Smad MH2-family: The structure of the N-MH2 expanded domain | Descriptor: | RE28239p | Authors: | Beich-Frandsen, M, Aragon, E, Llimargas, M, Benach, J, Riera, A, Macias, M.J. | Deposit date: | 2014-09-06 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Structure of the N-terminal domain of the protein Expansion: an 'Expansion' to the Smad MH2 Acta Crystallogr.,Sect.D, 71, 2015
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2CHP
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![BU of 2chp by Molmil](/molmil-images/mine/2chp) | |
5K0G
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![BU of 5k0g by Molmil](/molmil-images/mine/5k0g) | Crystal Structure of COMT in complex with 4-[5-[1-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-1,3-dimethylpyrazole | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 5-[(1S)-1-(4-methoxyphenyl)ethyl]-1',3'-dimethyl-1'H,2H-3,4'-bipyrazole, Catechol O-methyltransferase, ... | Authors: | Ehler, A, rodriguez-Sarmiento, R.M, Rudolph, M.G. | Deposit date: | 2016-05-17 | Release date: | 2016-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Design of Potent and Druglike Nonphenolic Inhibitors for Catechol O-Methyltransferase Derived from a Fragment Screening Approach Targeting the S-Adenosyl-l-methionine Pocket. J. Med. Chem., 59, 2016
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4R9N
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![BU of 4r9n by Molmil](/molmil-images/mine/4r9n) | |
2J04
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![BU of 2j04 by Molmil](/molmil-images/mine/2j04) | The tau60-tau91 subcomplex of yeast transcription factor IIIC | Descriptor: | HYPOTHETICAL PROTEIN YPL007C, YDR362CP | Authors: | Mylona, A, Fernandez-Tornero, C, Legrand, P, Muller, C.W. | Deposit date: | 2006-07-31 | Release date: | 2006-10-23 | Last modified: | 2019-04-03 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of the Tau60/Deltatau91 Subcomplex of Yeast Transcription Factor Iiic: Insights Into Preinitiation Complex Assembly Mol.Cell, 24, 2006
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4IX7
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![BU of 4ix7 by Molmil](/molmil-images/mine/4ix7) | |
4RAE
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![BU of 4rae by Molmil](/molmil-images/mine/4rae) | |