4PYM
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![BU of 4pym by Molmil](/molmil-images/mine/4pym) | humanized rat apo-COMT bound to sulphate | Descriptor: | Catechol O-methyltransferase, POTASSIUM ION, SULFATE ION | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2014-03-27 | Release date: | 2014-06-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.19 Å) | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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8I2S
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![BU of 8i2s by Molmil](/molmil-images/mine/8i2s) | Crystal structure of AtHPPD-Y18979 complex | Descriptor: | 1,5-dimethyl-3-(naphthalen-2-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-15 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.592 Å) | Cite: | Crystal structure of AtHPPD-Y18979 complex To Be Published
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5F4Z
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![BU of 5f4z by Molmil](/molmil-images/mine/5f4z) | The crystal structure of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus | Descriptor: | (1~{R},2~{R})-2,3-dihydro-1~{H}-indene-1,2-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, ... | Authors: | Tan, K, Li, H, Jedrzejczak, R, BABNIGG, G, BINGMAN, C.A, YENNAMALLI, R, LOHMAN, J, Chang, C.Y, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | Deposit date: | 2015-12-03 | Release date: | 2016-02-17 | Last modified: | 2020-09-23 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The crystal structure of an epoxide hydrolase from Streptomyces carzinostaticus subsp. neocarzinostaticus To Be Published
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1X9T
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![BU of 1x9t by Molmil](/molmil-images/mine/1x9t) | The crystal structure of human adenovirus 2 penton base in complex with an ad2 N-terminal fibre peptide | Descriptor: | N-DODECYL-N,N-DIMETHYL-3-AMMONIO-1-PROPANESULFONATE, N-terminal peptide of Fiber protein, Penton protein | Authors: | Zubieta, C, Schoehn, G, Chroboczek, J, Cusack, S. | Deposit date: | 2004-08-24 | Release date: | 2005-01-18 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | The structure of the human adenovirus 2 penton Mol.Cell, 17, 2005
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8I8X
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![BU of 8i8x by Molmil](/molmil-images/mine/8i8x) | Cryo-EM Structure of OmpC3-MlaA-MlaC Complex in MSP2N2 Nanodiscs | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, Intermembrane phospholipid transport system binding protein MlaC, Intermembrane phospholipid transport system lipoprotein MlaA, ... | Authors: | Yeow, J, Luo, M, Chng, S.S. | Deposit date: | 2023-02-05 | Release date: | 2023-12-20 | Last modified: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (3.25 Å) | Cite: | Molecular mechanism of phospholipid transport at the bacterial outer membrane interface. Nat Commun, 14, 2023
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4PZ9
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![BU of 4pz9 by Molmil](/molmil-images/mine/4pz9) | The native structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase Rv2419c | Descriptor: | Glucosyl-3-phosphoglycerate phosphatase | Authors: | Zhou, W.H, Zheng, Q.Q, Jiang, D.Q, Zhang, W, Zhang, Q.Q, Jin, J, Li, X, Yang, H.T, Shaw, N, Rao, Z. | Deposit date: | 2014-03-28 | Release date: | 2014-06-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Mechanism of dephosphorylation of glucosyl-3-phosphoglycerate by a histidine phosphatase J.Biol.Chem., 289, 2014
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1X95
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![BU of 1x95 by Molmil](/molmil-images/mine/1x95) | Solution structure of the DNA-hexamer ATGCAT complexed with DNA Bis-intercalating Anticancer Drug XR5944 (MLN944) | Descriptor: | 1-METHYL-9-[12-(9-METHYLPHENAZIN-10-IUM-1-YL)-12-OXO-2,11-DIAZA-5,8-DIAZONIADODEC-1-ANOYL]PHENAZIN-10-IUM, 5'-D(*AP*TP*GP*CP*AP*T)-3' | Authors: | Dai, J, Punchihewa, C, Mistry, P, Ooi, A.T, Yang, D. | Deposit date: | 2004-08-19 | Release date: | 2004-09-28 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Novel DNA bis-intercalation by MLN944, a potent clinical bisphenazine anticancer drug. J.Biol.Chem., 279, 2004
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5F5R
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![BU of 5f5r by Molmil](/molmil-images/mine/5f5r) | TRAP1N-ADPNP | Descriptor: | Heat shock protein 75 kDa, mitochondrial, MAGNESIUM ION, ... | Authors: | Tsai, F.T.F, Lee, S, Sung, N, Lee, J, Chang, C, Joachimiak, A. | Deposit date: | 2015-12-04 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Mitochondrial Hsp90 is a ligand-activated molecular chaperone coupling ATP binding to dimer closure through a coiled-coil intermediate. Proc.Natl.Acad.Sci.USA, 113, 2016
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5EVA
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![BU of 5eva by Molmil](/molmil-images/mine/5eva) | Crystal structure of the human BRPF1 bromodomain in complex with SEED16 | Descriptor: | NITRATE ION, Peregrin, ~{N}-[2,4-bis(fluoranyl)phenyl]-2-methyl-pyrazole-3-carboxamide | Authors: | Zhu, J, Caflisch, A. | Deposit date: | 2015-11-19 | Release date: | 2016-06-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59, 2016
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1XAG
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![BU of 1xag by Molmil](/molmil-images/mine/1xag) | CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE | Descriptor: | 3-dehydroquinate synthase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Nichols, C.E, Ren, J, Leslie, K, Dhaliwal, B, Lockyer, M, Charles, I, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2004-08-25 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Comparison of ligand induced conformational changes and domain closure mechanisms, between prokaryotic and eukaryotic dehydroquinate synthases. J.Mol.Biol., 343, 2004
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4Q01
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![BU of 4q01 by Molmil](/molmil-images/mine/4q01) | Second-site screening of K-Ras in the presence of covalently attached first-site ligands | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, K-Ras, MAGNESIUM ION, ... | Authors: | Sun, Q, Phan, J, Friberg, A, Camper, D.V, Olejniczak, E.T, Fesik, S.W. | Deposit date: | 2014-03-31 | Release date: | 2014-09-10 | Method: | X-RAY DIFFRACTION (1.291 Å) | Cite: | A method for the second-site screening of K-Ras in the presence of a covalently attached first-site ligand. J.Biomol.Nmr, 60, 2014
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4PVQ
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![BU of 4pvq by Molmil](/molmil-images/mine/4pvq) | Crystal structure of sulfate-bound human l-asparaginase protein | Descriptor: | IODIDE ION, Isoaspartyl peptidase/L-asparaginase, SODIUM ION, ... | Authors: | Nomme, J, Lavie, A. | Deposit date: | 2014-03-18 | Release date: | 2014-03-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Structures of apo and product-bound human L-asparaginase: insights into the mechanism of autoproteolysis and substrate hydrolysis. Biochemistry, 51, 2012
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5EVK
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![BU of 5evk by Molmil](/molmil-images/mine/5evk) | Crystal structure of the metallo-beta-lactamase L1 in complex with the bisthiazolidine inhibitor L-CS319 | Descriptor: | (3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid, Metallo-beta-lactamase L1, SULFATE ION, ... | Authors: | Hinchliffe, P, Spencer, J. | Deposit date: | 2015-11-19 | Release date: | 2016-06-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.627 Å) | Cite: | Cross-class metallo-beta-lactamase inhibition by bisthiazolidines reveals multiple binding modes. Proc.Natl.Acad.Sci.USA, 113, 2016
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8HX2
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![BU of 8hx2 by Molmil](/molmil-images/mine/8hx2) | Crystal structure of AtHPPD-Y18405 complex | Descriptor: | 3-[2-(3-chlorophenyl)ethyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-03 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.996 Å) | Cite: | Crystal structure of AtHPPD-Y18405 complex To Be Published
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8HZ9
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![BU of 8hz9 by Molmil](/molmil-images/mine/8hz9) | Crystal structure of AtHPPD-Y181136 complex | Descriptor: | 4-hydroxyphenylpyruvate dioxygenase, 5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-3-propan-2-yl-1,2,3-benzotriazin-4-one, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-08 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.011 Å) | Cite: | Crystal structure of AtHPPD-Y181136 complex To Be Published
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5EWM
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![BU of 5ewm by Molmil](/molmil-images/mine/5ewm) | |
8HZ6
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![BU of 8hz6 by Molmil](/molmil-images/mine/8hz6) | Crystal structure of AtHPPD-QRY2089 complex | Descriptor: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-prop-2-ynyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | Authors: | Dong, J, Lin, H.-Y, Yang, G.-F. | Deposit date: | 2023-01-08 | Release date: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.605 Å) | Cite: | Crystal structure of AtHPPD-QRY2089 complex To Be Published
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1XCJ
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![BU of 1xcj by Molmil](/molmil-images/mine/1xcj) | Guanidinoacetate methyltransferase containing S-adenosylhomocysteine and guanidinoacetate | Descriptor: | GUANIDINO ACETATE, Guanidinoacetate N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Komoto, J, Yamada, T, Takata, Y, Takusagawa, F. | Deposit date: | 2004-09-02 | Release date: | 2004-12-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Catalytic mechanism of guanidinoacetate methyltransferase: crystal structures of guanidinoacetate methyltransferase ternary complexes. Biochemistry, 43, 2004
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8HWD
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![BU of 8hwd by Molmil](/molmil-images/mine/8hwd) | Cryo-EM Structure of D5 ADP form | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Primase D5 | Authors: | Li, Y.N, Zhu, J, Guo, Y.Y, Yan, R.H. | Deposit date: | 2022-12-29 | Release date: | 2024-01-10 | Last modified: | 2024-01-31 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural insight into the assembly and working mechanism of helicase-primase D5 from Mpox virus. Nat.Struct.Mol.Biol., 31, 2024
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5F78
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![BU of 5f78 by Molmil](/molmil-images/mine/5f78) | Crystal structure of Mutant N87T of adenosine/Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form | Descriptor: | Methylthioadenosine phosphorylase, SULFATE ION | Authors: | Torini, J.R.S, Brandao-Neto, J, DeMarco, R, Pereira, H.M. | Deposit date: | 2015-12-07 | Release date: | 2016-12-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8518 Å) | Cite: | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway. PLoS Negl Trop Dis, 10, 2016
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1X84
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![BU of 1x84 by Molmil](/molmil-images/mine/1x84) | IPP isomerase (wt) reacted with (S)-bromohydrine of IPP | Descriptor: | (S)-4-BROMO-3-HYDROXY-3-METHYLBUTYL DIPHOSPHATE, Isopentenyl-diphosphate delta-isomerase, MAGNESIUM ION, ... | Authors: | Wouters, J, Oldfield, E. | Deposit date: | 2004-08-17 | Release date: | 2005-01-25 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | A Crystallographic Investigation of Phosphoantigen Binding to Isopentenyl Pyrophosphate/Dimethylallyl Pyrophosphate Isomerase J.Am.Chem.Soc., 127, 2005
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4Q6P
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![BU of 4q6p by Molmil](/molmil-images/mine/4q6p) | Structural analysis of the Zn-form I of Helicobacter pylori Csd4, a D,L-carboxypeptidase | Descriptor: | 2,6-DIAMINOPIMELIC ACID, CALCIUM ION, Conserved hypothetical secreted protein, ... | Authors: | Kim, H.S, Kim, J, Im, H.N, An, D.R, Lee, M, Hesek, D, Mobashery, S, Kim, J.Y, Cho, K, Yoon, H.J, Han, B.W, Lee, B.I, Suh, S.W. | Deposit date: | 2014-04-23 | Release date: | 2014-11-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Structural basis for the recognition of muramyltripeptide by Helicobacter pylori Csd4, a D,L-carboxypeptidase controlling the helical cell shape Acta Crystallogr.,Sect.D, 70, 2014
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4PYK
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![BU of 4pyk by Molmil](/molmil-images/mine/4pyk) | human COMT, double domain swap | Descriptor: | CHLORIDE ION, Catechol O-methyltransferase, MAGNESIUM ION, ... | Authors: | Ehler, A, Benz, J, Schlatter, D, Rudolph, M.G. | Deposit date: | 2014-03-27 | Release date: | 2014-06-11 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Mapping the conformational space accessible to catechol-O-methyltransferase. Acta Crystallogr.,Sect.D, 70, 2014
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5EX0
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![BU of 5ex0 by Molmil](/molmil-images/mine/5ex0) | Crystal structure of human SMYD3 in complex with a MAP3K2 peptide | Descriptor: | ACETIC ACID, Histone-lysine N-methyltransferase SMYD3, MAP3K2 peptide, ... | Authors: | Fu, W, Liu, N, Qiao, Q, Wang, M, Min, J, Zhu, B, Xu, R.M, Yang, N. | Deposit date: | 2015-11-23 | Release date: | 2016-03-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for Substrate Preference of SMYD3, a SET Domain-containing Protein Lysine Methyltransferase J.Biol.Chem., 291, 2016
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4Q88
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![BU of 4q88 by Molmil](/molmil-images/mine/4q88) | Glycosyl hydrolase family 88 from Bacteroides vulgatus | Descriptor: | 1,2-ETHANEDIOL, SULFATE ION, Uncharacterized protein | Authors: | Osipiuk, J, Li, H, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2014-04-25 | Release date: | 2014-05-21 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Glycosyl hydrolase Family 88 from Bacteroides vulgatus To be Published
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