4Y3W
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![BU of 4y3w by Molmil](/molmil-images/mine/4y3w) | Endothiapepsin in complex with fragment 35 | Descriptor: | (2R)-2-methyl-2-(morpholin-4-yl)butan-1-amine, 1,2-ETHANEDIOL, Endothiapepsin, ... | Authors: | Radeva, N, Uehlein, M, Weiss, M.S, Heine, A, Klebe, G. | Deposit date: | 2015-02-10 | Release date: | 2016-02-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Crystallographic Fragment Screening of an Entire Library To Be Published
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4Y7P
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![BU of 4y7p by Molmil](/molmil-images/mine/4y7p) | Structure of alkaline D-peptidase from Bacillus cereus | Descriptor: | Alkaline D-peptidase, THIOCYANATE ION | Authors: | Nakano, S, Okazaki, S, Ishitsubo, E, Kawahara, N, Komeda, H, Tokiwa, H, Asano, Y. | Deposit date: | 2015-02-15 | Release date: | 2015-10-14 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural and computational analysis of peptide recognition mechanism of class-C type penicillin binding protein, alkaline D-peptidase from Bacillus cereus DF4-B Sci Rep, 5, 2015
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4Y6N
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![BU of 4y6n by Molmil](/molmil-images/mine/4y6n) | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and phosphoglyceric acid (PGA) - GpgS Mn2+ UDP-Glc PGA-1 | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, Glucosyl-3-phosphoglycerate synthase, ... | Authors: | Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E. | Deposit date: | 2015-02-13 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.348 Å) | Cite: | A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase. Angew.Chem.Int.Ed.Engl., 54, 2015
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4Y9H
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![BU of 4y9h by Molmil](/molmil-images/mine/4y9h) | The 1.43 angstrom crystal structure of bacteriorhodopsin crystallized from bicelles | Descriptor: | Bacteriorhodopsin, DECANE, DODECANE, ... | Authors: | Saiki, H, Sugiyama, S, Kakinouchi, K, Kawatake, S, Hanashima, S, Matsumori, N, Murata, M. | Deposit date: | 2015-02-17 | Release date: | 2016-02-17 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | The 1.43 angstrom crystal structure of bacteriorhodopsin crystallized from bicelles To Be Published
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4YC2
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![BU of 4yc2 by Molmil](/molmil-images/mine/4yc2) | |
4YBL
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![BU of 4ybl by Molmil](/molmil-images/mine/4ybl) | |
1NZ4
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![BU of 1nz4 by Molmil](/molmil-images/mine/1nz4) | The horse heart myoglobin variant K45E/K63E complexed with Cadmium | Descriptor: | CADMIUM ION, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Hunter, C.L, Maurus, R, Mauk, M.R, Lee, H, Raven, E.L, Tong, H, Nguyen, N, Smith, S, Brayer, G.D, Mauk, A.G. | Deposit date: | 2003-02-15 | Release date: | 2003-04-08 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Introduction and characterization of a functionally linked metal ion binding site at
the exposed heme edge of myoglobin Proc.Natl.Acad.Sci.USA, 100, 2003
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4YHH
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![BU of 4yhh by Molmil](/molmil-images/mine/4yhh) | Crystal structure of the 30S ribosomal subunit from Thermus thermophilus in complex with tigecycline | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Schedlbauer, A, Kaminishi, T, Ochoa-Lizarralde, B, Dhimole, N, Zhou, S, Lopez-Alonso, J.P, Connell, S.R, Fucini, P. | Deposit date: | 2015-02-27 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.417 Å) | Cite: | Structural characterization of an alternative mode of tigecycline binding to the bacterial ribosome. Antimicrob.Agents Chemother., 59, 2015
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4YNK
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![BU of 4ynk by Molmil](/molmil-images/mine/4ynk) | Crystal structure of vitamin D receptor ligand binding domain complexed with a 19-norvitamin D compound | Descriptor: | (1R,3R,7E,17beta)-17-{(5S)-5-hydroxy-5-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Coactivator peptide drip from cDNA FLJ50196, highly similar to Peroxisome proliferator-activated receptor-binding protein, ... | Authors: | Watarai, Y, Ikura, T, Ito, N. | Deposit date: | 2015-03-10 | Release date: | 2016-01-20 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Synthesis, Biological Activities, and X-ray Crystal Structural Analysis of 25-Hydroxy-25(or 26)-adamantyl-17-[20(22),23-diynyl]-21-norvitamin D Compounds J.Med.Chem., 58, 2015
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1NM9
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![BU of 1nm9 by Molmil](/molmil-images/mine/1nm9) | Crystal structure of recombinant human salivary amylase mutant W58A | Descriptor: | 4-amino-4,6-dideoxy-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 5-HYDROXYMETHYL-CHONDURITOL, Alpha-amylase, ... | Authors: | Ramasubbu, N, Ragunath, C, Mishra, P.J, Thomas, L.M. | Deposit date: | 2003-01-09 | Release date: | 2004-01-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human salivary alpha-amylase Trp58 situated at subsite -2 is critical for enzyme activity. Eur.J.Biochem., 271, 2004
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1NMX
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![BU of 1nmx by Molmil](/molmil-images/mine/1nmx) | Crystal structure of human thymidylate kinase with FLTMP and ADP | Descriptor: | 3'-FLUORO-3'-DEOXYTHYMIDINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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1NN1
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![BU of 1nn1 by Molmil](/molmil-images/mine/1nn1) | Crystal structure of human thymidylate kinase with ddTMP and AppNHp | Descriptor: | 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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4Y6Q
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![BU of 4y6q by Molmil](/molmil-images/mine/4y6q) | Human SIRT2 in complex with 2-O-myristoyl-ADP-ribose | Descriptor: | NAD-dependent protein deacetylase sirtuin-2, ZINC ION, [(2S,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] tetradecanoate | Authors: | Kudo, N, Ito, A, Yoshida, M. | Deposit date: | 2015-02-13 | Release date: | 2016-01-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Kinetic and Structural Basis for Acyl-Group Selectivity and NAD(+) Dependence in Sirtuin-Catalyzed Deacylation. Biochemistry, 54, 2015
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1NN3
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![BU of 1nn3 by Molmil](/molmil-images/mine/1nn3) | Crystal structure of human thymidylate kinase with d4TMP + ADP | Descriptor: | 3'-DEOXYTHYMIDINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ostermann, N, Segura-Pena, D, Meier, C, Veit, T, Monnerjahn, M, Konrad, M, Lavie, A. | Deposit date: | 2003-01-12 | Release date: | 2003-03-18 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structures of human thymidylate kinase in complex with prodrugs:
implications for the structure-based design of novel compounds Biochemistry, 42, 2003
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4Y7F
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![BU of 4y7f by Molmil](/molmil-images/mine/4y7f) | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and 3-(phosphonooxy)propanoic acid (PPA) - GpgS Mn2+ UDP-Glc PPA | Descriptor: | 1,2-ETHANEDIOL, 3-(phosphonooxy)propanoic acid, Glucosyl-3-phosphoglycerate synthase, ... | Authors: | Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E. | Deposit date: | 2015-02-14 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.231 Å) | Cite: | A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase. Angew.Chem.Int.Ed.Engl., 54, 2015
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4Y7G
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![BU of 4y7g by Molmil](/molmil-images/mine/4y7g) | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and glycerol 3-phosphate (G3P) - GpgS Mn2+ UDP-Glc G3P | Descriptor: | Glucosyl-3-phosphoglycerate synthase, MANGANESE (II) ION, SN-GLYCEROL-3-PHOSPHATE, ... | Authors: | Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E. | Deposit date: | 2015-02-14 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase. Angew.Chem.Int.Ed.Engl., 54, 2015
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6NUI
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![BU of 6nui by Molmil](/molmil-images/mine/6nui) | Human Guanylate Kinase | Descriptor: | Guanylate kinase | Authors: | Sabo, T.M, Khan, N, Ban, D, Trigo-Mourino, P, Carneiro, M.G, Trent, J.O, Konrad, M, Lee, D. | Deposit date: | 2019-02-01 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure and functional investigation of human guanylate kinase reveals allosteric networking and a crucial role for the enzyme in cancer. J.Biol.Chem., 294, 2019
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6ZH7
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![BU of 6zh7 by Molmil](/molmil-images/mine/6zh7) | Crystal structure of fatty acid photodecarboxylase in the dark state determined by serial femtosecond crystallography at room temperature | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | Authors: | Hadjidemetriou, K, Coquelle, N, Weik, M, Schlichting, I, Barends, T.R.M, Colletier, J.P. | Deposit date: | 2020-06-21 | Release date: | 2021-04-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Mechanism and dynamics of fatty acid photodecarboxylase. Science, 372, 2021
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4Y9X
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![BU of 4y9x by Molmil](/molmil-images/mine/4y9x) | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and phosphoglyceric acid (PGA) - GpgS Mn2+ UDP-Glc PGA-3 | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, ... | Authors: | Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E. | Deposit date: | 2015-02-17 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.637 Å) | Cite: | A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase. Angew.Chem.Int.Ed.Engl., 54, 2015
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4YCP
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![BU of 4ycp by Molmil](/molmil-images/mine/4ycp) | E. coli dihydrouridine synthase C (DusC) in complex with tRNATrp | Descriptor: | FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, SULFATE ION, ... | Authors: | Byrne, R.T, Jenkins, H.T, Peters, D.T, Whelan, F, Stowell, J, Aziz, N, Kasatsky, P, Rodnina, M.V, Koonin, E.V, Konevega, A.L, Antson, A.A. | Deposit date: | 2015-02-20 | Release date: | 2015-04-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Major reorientation of tRNA substrates defines specificity of dihydrouridine synthases. Proc.Natl.Acad.Sci.USA, 112, 2015
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1N4E
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![BU of 1n4e by Molmil](/molmil-images/mine/1n4e) | Crystal Structure of a DNA Decamer Containing a Thymine-dimer | Descriptor: | 5'-D(*CP*GP*AP*AP*TP*TP*AP*AP*GP*C)-3', 5'-D(*GP*CP*TP*TP*AP*AP*TP*TP*CP*G)-3' | Authors: | Park, H, Zhang, K, Ren, Y, Nadji, S, Sinha, N, Taylor, J.-S, Kang, C. | Deposit date: | 2002-10-30 | Release date: | 2003-02-04 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a DNA decamer containing a cis-syn thymine dimer. Proc.Natl.Acad.Sci.USA, 99, 2002
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7ZU0
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![BU of 7zu0 by Molmil](/molmil-images/mine/7zu0) | HOPS tethering complex from yeast | Descriptor: | E3 ubiquitin-protein ligase PEP5, Vacuolar membrane protein PEP3, Vacuolar morphogenesis protein 6, ... | Authors: | Shvarev, D, Schoppe, J, Koenig, C, Perz, A, Fuellbrunn, N, Kiontke, S, Langemeyer, L, Januliene, D, Schnelle, K, Kuemmel, D, Froehlich, F, Moeller, A, Ungermann, C. | Deposit date: | 2022-05-11 | Release date: | 2022-09-28 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structure of the endosomal CORVET tethering complex. Nat Commun, 15, 2024
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4YGW
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![BU of 4ygw by Molmil](/molmil-images/mine/4ygw) | RNase S in complex with stabilized S peptide | Descriptor: | 1-hydroxypropan-2-one, Ribonuclease A C2, S-peptide: ACE-LYS-GLU-THR-ALA-ALA-HCS-LYS-PHE-GLU-HCS-GLN-HIS-MET-ASP-SER, ... | Authors: | Assem, N, Ferreira, D, Wolan, D.W, Dawson, P.E. | Deposit date: | 2015-02-26 | Release date: | 2015-07-01 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Acetone-Linked Peptides: A Convergent Approach for Peptide Macrocyclization and Labeling. Angew.Chem.Int.Ed.Engl., 54, 2015
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1N3T
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![BU of 1n3t by Molmil](/molmil-images/mine/1n3t) | Biosynthesis of pteridins. Reaction mechanism of GTP cyclohydrolase I | Descriptor: | GTP cyclohydrolase I, GUANOSINE-5'-TRIPHOSPHATE | Authors: | Rebelo, J, Auerbach, G, Bader, G, Bracher, A, Nar, H, Hoesl, C, Schramek, N, Kaiser, J, Bacher, A, Huber, R, Fischer, M. | Deposit date: | 2002-10-29 | Release date: | 2003-10-14 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Biosynthesis of Pteridines. Reaction Mechanism of GTP Cyclohydrolase I J.MOL.BIOL., 326, 2003
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1FFS
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![BU of 1ffs by Molmil](/molmil-images/mine/1ffs) | CHEY-BINDING DOMAIN OF CHEA IN COMPLEX WITH CHEY FROM CRYSTALS SOAKED IN ACETYL PHOSPHATE | Descriptor: | CHEMOTAXIS PROTEIN CHEA, CHEMOTAXIS PROTEIN CHEY, MANGANESE (II) ION | Authors: | Gouet, P, Chinardet, N, Welch, M, Guillet, V, Birck, C, Mourey, L, Samama, J.-P. | Deposit date: | 2000-07-26 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Further insights into the mechanism of function of the response regulator CheY from crystallographic studies of the CheY--CheA(124--257) complex. Acta Crystallogr.,Sect.D, 57, 2001
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