1ULG
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![BU of 1ulg by Molmil](/molmil-images/mine/1ulg) | CGL2 in complex with Thomsen-Friedenreich antigen | Descriptor: | beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, galectin-2 | Authors: | Walser, P.J, Haebel, P.W, Kuenzler, M, Kues, U, Aebi, M, Ban, N. | Deposit date: | 2003-09-12 | Release date: | 2004-04-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and Functional Analysis of the Fungal Galectin CGL2 STRUCTURE, 12, 2004
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6RLE
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![BU of 6rle by Molmil](/molmil-images/mine/6rle) | Crystal structure of human monoamine oxidase B in complex with styrylpiperidine analogue 97 | Descriptor: | 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Iacovino, L.G, Knez, D, Colettis, N, Sova, M, Pislar, A, Higgs, J, Kamecki, F, Mangialavori, I, Dolsak, A, Zakelj, S, Trontelj, J, Kos, J, Marder, N.M, Gobec, S, Binda, C. | Deposit date: | 2019-05-02 | Release date: | 2020-01-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Stereoselective Activity of 1-Propargyl-4-styrylpiperidine-like Analogues That Can Discriminate between Monoamine Oxidase Isoforms A and B. J.Med.Chem., 63, 2020
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6S16
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![BU of 6s16 by Molmil](/molmil-images/mine/6s16) | T. thermophilus RuvC in complex with Holliday junction substrate | Descriptor: | CHLORIDE ION, Crossover junction endodeoxyribonuclease RuvC, DNA (33-MER), ... | Authors: | Gorecka, K.M, Krepl, M, Szlachcic, A, Poznanski, J, Sponer, J, Nowotny, M. | Deposit date: | 2019-06-18 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.409 Å) | Cite: | RuvC uses dynamic probing of the Holliday junction to achieve sequence specificity and efficient resolution. Nat Commun, 10, 2019
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5EMU
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5M3U
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![BU of 5m3u by Molmil](/molmil-images/mine/5m3u) | The X-ray structure of human V216F phosphoglycerate kinase 1 mutant | Descriptor: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Ilari, A, Fiorillo, A, Cipollone, A, Petrosino, M. | Deposit date: | 2016-10-17 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | The phosphoglycerate kinase 1 variants found in carcinoma cells display different catalytic activity and conformational stability compared to the native enzyme. PLoS ONE, 13, 2018
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6RT2
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![BU of 6rt2 by Molmil](/molmil-images/mine/6rt2) | Crystal structure of Trypanosoma Brucei PEX14 N-terminal domain in complex with small molecules designed to investigate the water envelope | Descriptor: | (3~{S})-3-[[1-(2-hydroxyethyl)-5-[(4-methoxynaphthalen-1-yl)methyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]carbonylamino]-3-phenyl-propanoic acid, BETA-MERCAPTOETHANOL, Peroxin 14, ... | Authors: | Napolitano, V, Ratkova, E.L, Dawidowski, M, Dubin, G, Fino, R, Popowicz, G, Sattler, M, Tetko, I.V. | Deposit date: | 2019-05-22 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Water envelope has a critical impact on the design of protein-protein interaction inhibitors. Chem.Commun.(Camb.), 56, 2020
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7DQC
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![BU of 7dqc by Molmil](/molmil-images/mine/7dqc) | Crystal structure of nucleotide-free mutant A(S23C)3B(N64C)3 complex from Enterococcus hirae V-ATPase | Descriptor: | GLYCEROL, V-type sodium ATPase catalytic subunit A, V-type sodium ATPase subunit B | Authors: | Maruyama, S, Suzuki, K, Mizutani, K, Imai, F.L, Ishizuka-Katsura, Y, Shirouzu, M, Murata, M. | Deposit date: | 2020-12-23 | Release date: | 2021-12-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.706 Å) | Cite: | The combination of high-speed AFM and X-ray crystallography reveals rotary catalytic mechanism of shaftless V1-ATPase To Be Published
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2PY5
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![BU of 2py5 by Molmil](/molmil-images/mine/2py5) | Phi29 DNA polymerase complexed with single-stranded DNA | Descriptor: | 1,2-ETHANEDIOL, 5'-d(GGACTTT)-3', DNA polymerase | Authors: | Berman, A.J, Kamtekar, S, Goodman, J.L, Lazaro, J.M, de Vega, M, Blanco, L, Salas, M, Steitz, T.A. | Deposit date: | 2007-05-15 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of phi29 DNA polymerase complexed with substrate: the mechanism of translocation in B-family polymerases Embo J., 26, 2007
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6RU6
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![BU of 6ru6 by Molmil](/molmil-images/mine/6ru6) | Crystal structure of Casein Kinase I delta (CK1d) in complex with monophosphorylated p63 PAD1P peptide | Descriptor: | 1,2-ETHANEDIOL, Casein kinase I isoform delta, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | Authors: | Chaikuad, A, Tuppi, M, Gebel, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Dotsch, V, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-05-27 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | p63 uses a switch-like mechanism to set the threshold for induction of apoptosis. Nat.Chem.Biol., 16, 2020
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6RXH
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![BU of 6rxh by Molmil](/molmil-images/mine/6rxh) | In-flow serial synchrotron crystallography using a 3D-printed microfluidic device (3D-MiXD): Aspartate alpha-decarboxylase | Descriptor: | Aspartate 1-decarboxylase, UNKNOWN ATOM OR ION | Authors: | Monteiro, D.C.F, von Stetten, D, Pearson, A.R, Trebbin, M. | Deposit date: | 2019-06-08 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 3D-MiXD: 3D-printed X-ray-compatible microfluidic devices for rapid, low-consumption serial synchrotron crystallography data collection in flow. Iucrj, 7, 2020
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1GDU
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![BU of 1gdu by Molmil](/molmil-images/mine/1gdu) | FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION | Descriptor: | GLY-ALA-ARG, SULFATE ION, TRYPSIN | Authors: | Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S. | Deposit date: | 2000-09-29 | Release date: | 2001-02-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding. Acta Crystallogr.,Sect.D, 57, 2001
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6RXK
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![BU of 6rxk by Molmil](/molmil-images/mine/6rxk) | Crystal structure of CobB wt in complex with H4K16-Butyryl peptide | Descriptor: | Histone H4, NAD-dependent protein deacylase, ZINC ION | Authors: | Spinck, M, Gasper, R, Neumann, H. | Deposit date: | 2019-06-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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6RXS
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![BU of 6rxs by Molmil](/molmil-images/mine/6rxs) | Crystal structure of CobB Ac3(A76G,Y92A, I131L, V187Y) in complex with H4K16-Acetyl peptide | Descriptor: | GLYCEROL, Histone H4, NAD-dependent protein deacylase, ... | Authors: | Spinck, M, Gasper, R, Neumann, H. | Deposit date: | 2019-06-08 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.599 Å) | Cite: | Evolved, Selective Erasers of Distinct Lysine Acylations. Angew.Chem.Int.Ed.Engl., 59, 2020
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6ECM
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6RIP
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![BU of 6rip by Molmil](/molmil-images/mine/6rip) | Cryo-EM structure of E. coli RNA polymerase backtracked elongation complex in swiveled state | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Abdelkareem, M, Saint-Andre, C, Takacs, M, Papai, G, Crucifix, C, Guo, X, Ortiz, J, Weixlbaumer, A. | Deposit date: | 2019-04-24 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural Basis of Transcription: RNA Polymerase Backtracking and Its Reactivation. Mol.Cell, 75, 2019
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6ATH
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![BU of 6ath by Molmil](/molmil-images/mine/6ath) | Cdk2/cyclin A/p27-KID-deltaC | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2, Cyclin-dependent kinase inhibitor 1B, ... | Authors: | White, S.W, Yun, M. | Deposit date: | 2017-08-29 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Dynamic anticipation by Cdk2/Cyclin A-bound p27 mediates signal integration in cell cycle regulation. Nat Commun, 10, 2019
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6RJF
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![BU of 6rjf by Molmil](/molmil-images/mine/6rjf) | Echovirus 1 intact particle | Descriptor: | PALMITIC ACID, VP1, VP2, ... | Authors: | Domanska, A, Ruokolainen, V.P, Pelliccia, M, Laajala, M.A, Marjomaki, V.S, Butcher, S.J. | Deposit date: | 2019-04-26 | Release date: | 2019-06-12 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Extracellular Albumin and Endosomal Ions Prime Enterovirus Particles for Uncoating That Can Be Prevented by Fatty Acid Saturation. J.Virol., 93, 2019
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1V7V
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![BU of 1v7v by Molmil](/molmil-images/mine/1v7v) | Crystal structure of Vibrio proteolyticus chitobiose phosphorylase | Descriptor: | CALCIUM ION, chitobiose phosphorylase | Authors: | Hidaka, M, Honda, Y, Nirasawa, S, Kitaoka, M, Hayashi, K, Wakagi, T, Shoun, H, Fushinobu, S. | Deposit date: | 2003-12-24 | Release date: | 2004-06-22 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Chitobiose phosphorylase from Vibrio proteolyticus, a member of glycosyl transferase family 36, has a clan GH-L-like (alpha/alpha)(6) barrel fold. Structure, 12, 2004
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6RI3
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![BU of 6ri3 by Molmil](/molmil-images/mine/6ri3) | Dodecin from Streptomyces davaonensis | Descriptor: | dodecin | Authors: | Paithankar, K.S, Bourdeaux, F, Grininger, M, Ludwig, P, Mack, M. | Deposit date: | 2019-04-23 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Comparative biochemical and structural analysis of the flavin-binding dodecins from Streptomyces davaonensis and Streptomyces coelicolor reveals striking differences with regard to multimerization. Microbiology (Reading, Engl.), 165, 2019
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8EO9
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![BU of 8eo9 by Molmil](/molmil-images/mine/8eo9) | The solution structure of abxF, an enzyme catalyzing the formation of chiral spiroketal of an antibiotics, (-)-ABX | Descriptor: | Glyoxalase | Authors: | Jia, X, Yan, X, Mobli, M, Qu, X. | Deposit date: | 2022-10-02 | Release date: | 2024-04-03 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The solution structure of abxF, an enzyme catalyzing the formation of chiral spiroketal of an antibiotics, (-)-ABX. To Be Published
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1V9Q
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![BU of 1v9q by Molmil](/molmil-images/mine/1v9q) | Crystal Structure of an Artificial Metalloprotein:Mn(III)(3,3'-Me2-salophen)/apo-A71G Myoglobin | Descriptor: | 'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-BENZENE-1,2-DIAMINE', MANGANESE (III) ION, Myoglobin, ... | Authors: | Ueno, T, Koshiyama, T, Kono, M, Kondo, K, Ohashi, M, Suzuki, A, Yamane, T, Watanabe, Y. | Deposit date: | 2004-01-29 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Coordinated Design of Cofactor and Active Site Structures in Development of New Protein Catalysts J.Am.Chem.Soc., 127, 2005
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5LYK
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![BU of 5lyk by Molmil](/molmil-images/mine/5lyk) | CRYSTAL STRUCTURE OF INTRACELLULAR B30.2 DOMAIN OF BTN3A1 BOUND TO CITRATE | Descriptor: | 1,2-ETHANEDIOL, Butyrophilin subfamily 3 member A1, CITRATE ANION | Authors: | Mohammed, F, Baker, A.T, Salim, M, Willcox, B.E. | Deposit date: | 2016-09-28 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | BTN3A1 Discriminates gamma delta T Cell Phosphoantigens from Nonantigenic Small Molecules via a Conformational Sensor in Its B30.2 Domain. ACS Chem. Biol., 12, 2017
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6EHJ
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![BU of 6ehj by Molmil](/molmil-images/mine/6ehj) | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and peptide bound | Descriptor: | ASPARAGINE, COENZYME A, GLYCEROL, ... | Authors: | Perez-Dorado, I, Ritzefeld, M, Tate, E.W. | Deposit date: | 2017-09-13 | Release date: | 2019-03-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High-resolution snapshots of human N-myristoyltransferase in action illuminate a mechanism promoting N-terminal Lys and Gly myristoylation. Nat Commun, 11, 2020
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8EPY
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![BU of 8epy by Molmil](/molmil-images/mine/8epy) | The solution structure of abxF in complex with its product (-)-ABX, an enzyme catalyzing the formation of the chiral spiroketal of an anthrabenzoxocinone antibiotic, (-)-ABX | Descriptor: | (6R,16R)-3,11,13,15-tetrahydroxy-1,6,9,9-tetramethyl-6,7,9,16-tetrahydro-14H-6,16-epoxyanthra[2,3-e]benzo[b]oxocin-14-one, Glyoxalase | Authors: | Jia, X, Yan, X, Qu, X, Mobli, M. | Deposit date: | 2022-10-06 | Release date: | 2024-04-10 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The solution structure of abxF, an enzyme catalyzing the formation of chiral spiroketal of an antibiotics, (-)-ABX. To Be Published
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8EY1
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![BU of 8ey1 by Molmil](/molmil-images/mine/8ey1) | |