6H0S
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h0s by Molmil](/molmil-images/mine/6h0s) | |
5XXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xxl by Molmil](/molmil-images/mine/5xxl) | Crystal structure of GH3 beta-glucosidase from Bacteroides thetaiotaomicron | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | Authors: | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H. | Deposit date: | 2017-07-04 | Release date: | 2017-12-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
|
|
3IVE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ive by Molmil](/molmil-images/mine/3ive) | Putative 5'-Nucleotidase (c4898) from Escherichia Coli in complex with Cytidine | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, CHLORIDE ION, FE (III) ION, ... | Authors: | Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | Deposit date: | 2009-08-31 | Release date: | 2009-09-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Putative 5'-Nucleotidase (c4898) from Escherichia Coli in complex with Cytidine To be Published
|
|
5XXO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xxo by Molmil](/molmil-images/mine/5xxo) | Crystal structure of mutant (D286N) GH3 beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorotriose | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | Authors: | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahash, Y, Sugimoto, N, Nakai, H, Taguchi, H. | Deposit date: | 2017-07-04 | Release date: | 2017-12-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
|
|
7WWU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7wwu by Molmil](/molmil-images/mine/7wwu) | ICP1 Csy complex | Descriptor: | Csy1, Csy2, Csy3, ... | Authors: | Zhang, M, Peng, R. | Deposit date: | 2022-02-14 | Release date: | 2023-04-26 | Last modified: | 2024-06-26 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Mechanistic insights into DNA binding and cleavage by a compact type I-F CRISPR-Cas system in bacteriophage. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
6H19
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h19 by Molmil](/molmil-images/mine/6h19) | Crystal structure of ethyl-paraoxon inhibited recombinant human bile salt activated lipase (aged form) | Descriptor: | ACETATE ION, Bile salt-activated lipase, SODIUM ION, ... | Authors: | Touvrey, C, Brazzolotto, X, Nachon, F. | Deposit date: | 2018-07-11 | Release date: | 2019-03-27 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | X-ray structures of human bile-salt activated lipase conjugated to nerve agents surrogates. Toxicology, 411, 2019
|
|
5Y1B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y1b by Molmil](/molmil-images/mine/5y1b) | Crystal Structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with a berberine derivative (SYSU-00679) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 9-O-3'-quinolinium propylberberine, Beta-hexosaminidase | Authors: | Duan, Y.W, Liu, T, Zhou, Y, Tang, J.Y, Li, M, Yang, Q. | Deposit date: | 2017-07-20 | Release date: | 2018-01-24 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.207 Å) | Cite: | Glycoside hydrolase family 18 and 20 enzymes are novel targets of the traditional medicine berberine. J. Biol. Chem., 293, 2018
|
|
4QYG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qyg by Molmil](/molmil-images/mine/4qyg) | CHK1 kinase domain in complex with diazacarbazole compound 14 | Descriptor: | 3-[4-(4-methylpiperazin-1-yl)phenyl]-9H-pyrrolo[2,3-b:5,4-c']dipyridine-6-carboxylic acid, Serine/threonine-protein kinase Chk1 | Authors: | Wiesmann, C, Wu, P. | Deposit date: | 2014-07-24 | Release date: | 2014-12-17 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of the 1,7-diazacarbazole class of inhibitors of checkpoint kinase 1. Bioorg.Med.Chem.Lett., 24, 2014
|
|
7XK9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xk9 by Molmil](/molmil-images/mine/7xk9) | Structure of human beta2 adrenergic receptor bound to constrained isoproterenol | Descriptor: | (5R,6R)-6-(propan-2-ylamino)-5,6,7,8-tetrahydronaphthalene-1,2,5-triol, Camelid Antibody Fragment, Endolysin,Beta-2 adrenergic receptor, ... | Authors: | Xu, X, Shonberg, J, Kaindl, J, Clark, M, Stobel, A, Maul, L, Mayer, D, Hubner, H, Venkatakrishnan, A, Dror, R, Kobilka, B.K, Sunahara, R, Liu, X, Gmeiner, P. | Deposit date: | 2022-04-19 | Release date: | 2023-04-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Constrained catecholamines gain beta 2 AR selectivity through allosteric effects on pocket dynamics. Nat Commun, 14, 2023
|
|
4QSM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4qsm by Molmil](/molmil-images/mine/4qsm) | Crystal structure of human muscle L-lactate dehydrogenase in complex with inhibitor 2, 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid | Descriptor: | 3-{[7-(2,4-dimethoxypyrimidin-5-yl)-3-sulfamoylquinolin-4-yl]amino}benzoic acid, L-lactate dehydrogenase A chain | Authors: | Kolappan, S, Craig, L. | Deposit date: | 2014-07-06 | Release date: | 2014-12-03 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structures of lactate dehydrogenase A (LDHA) in apo, ternary and inhibitor-bound forms. Acta Crystallogr.,Sect.D, 71, 2015
|
|
2WLA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wla by Molmil](/molmil-images/mine/2wla) | Streptococcus pyogenes Dpr | Descriptor: | DPS-LIKE PEROXIDE RESISTANCE PROTEIN, GLYCEROL | Authors: | Haikarainen, T, Tsou, C.-C, Wu, J.-J, Papageorgiou, A.C. | Deposit date: | 2009-06-23 | Release date: | 2009-09-15 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structures of Streptococcus Pyogenes Dpr Reveal a Dodecameric Iron-Binding Protein with a Ferroxidase Site. J.Biol.Inorg.Chem., 15, 2010
|
|
6H1O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h1o by Molmil](/molmil-images/mine/6h1o) | Structure of the BM3 heme domain in complex with voriconazole | Descriptor: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ... | Authors: | Jeffreys, L.N, Munro, A.W.M, Leys, D. | Deposit date: | 2018-07-12 | Release date: | 2019-02-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.734 Å) | Cite: | Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs. Sci Rep, 9, 2019
|
|
2WM4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wm4 by Molmil](/molmil-images/mine/2wm4) | X-ray structure of Mycobacterium tuberculosis cytochrome P450 CYP124 in complex with phytanic acid | Descriptor: | (3R,7S,11S)-3,7,11,15-tetramethylhexadecanoic acid, CALCIUM ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Johnston, J.B, Kells, P.M, Podust, L.M, Ortiz de Montellano, P.R. | Deposit date: | 2009-06-30 | Release date: | 2009-10-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Biochemical and structural characterization of CYP124: a methyl-branched lipid omega-hydroxylase from Mycobacterium tuberculosis. Proc. Natl. Acad. Sci. U.S.A., 106, 2009
|
|
2WHF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2whf by Molmil](/molmil-images/mine/2whf) | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines | Descriptor: | 1-(3-METHYLPHENYL)-1H-BENZIMIDAZOL-5-AMINE, PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 130 | Authors: | Podust, L.M, Ouellet, H, von Kries, J.P, Ortiz de Montellano, P.R. | Deposit date: | 2009-05-04 | Release date: | 2009-07-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Interaction of Mycobacterium tuberculosis CYP130 with heterocyclic arylamines. J. Biol. Chem., 284, 2009
|
|
6H7P
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6h7p by Molmil](/molmil-images/mine/6h7p) | Reductive Aminase from Aspergillus terreus in complex with NADPH4, cyclohexanone and allyl amine | Descriptor: | CYCLOHEXANONE, Reductive Aminase, [[(2~{R},3~{S},4~{R},5~{R})-5-[(3~{R})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate, ... | Authors: | Sharma, M, Grogan, G, Mangas-Sanchez, J, Turner, N.J. | Deposit date: | 2018-07-31 | Release date: | 2019-04-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Structure of Reductive Aminase from Aspergillus terreus Acs Catalysis, 2018
|
|
4R1N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r1n by Molmil](/molmil-images/mine/4r1n) | |
5Y37
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y37 by Molmil](/molmil-images/mine/5y37) | Crystal structure of GBS GAPDH | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Jin, T, Zhou, K. | Deposit date: | 2017-07-28 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | High-resolution crystal structure of Streptococcus agalactiae glyceraldehyde-3-phosphate dehydrogenase. Acta Crystallogr.,Sect.F, 74, 2018
|
|
7XMH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7xmh by Molmil](/molmil-images/mine/7xmh) | Crystal structure of a rice class IIIb chitinase, Oschib2 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Putative class III chitinase | Authors: | Jun, T, Tomoya, T, Tomoyuki, N, Takayuki, O. | Deposit date: | 2022-04-25 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Characterization of two rice GH18 chitinases belonging to family 8 of plant pathogenesis-related proteins. Plant Sci., 326, 2023
|
|
4R1Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r1z by Molmil](/molmil-images/mine/4r1z) | Zebra fish cytochrome P450 17A1 with Abiraterone | Descriptor: | Abiraterone, Cyp17a1 protein, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Pallan, P.S, Egli, M. | Deposit date: | 2014-08-08 | Release date: | 2014-12-31 | Last modified: | 2015-03-04 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural and Kinetic Basis of Steroid 17 alpha, 20-Lyase Activity in Teleost Fish Cytochrome P450 17A1 and Its Absence in Cytochrome P450 17A2. J.Biol.Chem., 290, 2015
|
|
5XXN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xxn by Molmil](/molmil-images/mine/5xxn) | Crystal Structure of mutant (D286N) beta-glucosidase from Bacteroides thetaiotaomicron in complex with sophorose | Descriptor: | DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Periplasmic beta-glucosidase, ... | Authors: | Nakajima, M, Ishiguro, R, Tanaka, N, Abe, K, Maeda, T, Miyanaga, A, Takahashi, Y, Sugimono, N, Nakai, H, Taguchi, H. | Deposit date: | 2017-07-04 | Release date: | 2017-12-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Function and structure relationships of a beta-1,2-glucooligosaccharide-degrading beta-glucosidase. FEBS Lett., 591, 2017
|
|
6GSD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gsd by Molmil](/molmil-images/mine/6gsd) | Plantago Major multifunctional oxidoreductase in complex with progesterone and NADP+ | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROGESTERONE, Progesterone 5-beta-reductase | Authors: | Fellows, R, Silva, C, Russo, C.M, Lee, S.G, Jez, J.M, Chisholm, J.D, Zubieta, C, Nanao, M. | Deposit date: | 2018-06-14 | Release date: | 2018-10-17 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A multisubstrate reductase from Plantago major: structure-function in the short chain reductase superfamily. Sci Rep, 8, 2018
|
|
3DKE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3dke by Molmil](/molmil-images/mine/3dke) | Polar and non-polar cavities in phage T4 lysozyme | Descriptor: | 2-HYDROXYETHYL DISULFIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AZIDE ION, ... | Authors: | Liu, L.J, Matthews, B.W. | Deposit date: | 2008-06-24 | Release date: | 2008-11-25 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Use of experimental crystallographic phases to examine the hydration of polar and nonpolar cavities in T4 lysozyme Proc.Natl.Acad.Sci.USA, 105, 2008
|
|
5Y8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5y8o by Molmil](/molmil-images/mine/5y8o) | Mycobacterium tuberculosis 3-Hydroxyisobutyrate dehydrogenase (MtHIBADH) + NAD + 3-Hydroxy propionate (3-HP) | Descriptor: | (2~{S})-2-methylpentanedioic acid, 3-HYDROXY-PROPANOIC ACID, ACRYLIC ACID, ... | Authors: | Srikalaivani, R, Singh, A, Surolia, A, Vijayan, M. | Deposit date: | 2017-08-21 | Release date: | 2018-07-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structure, interactions and action ofMycobacterium tuberculosis3-hydroxyisobutyric acid dehydrogenase. Biochem. J., 475, 2018
|
|
2WP6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wp6 by Molmil](/molmil-images/mine/2wp6) | Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00071494) | Descriptor: | (4S)-3-BENZYL-6-CHLORO-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Alphey, M.S, Patterson, S, Fairlamb, A.H. | Deposit date: | 2009-08-03 | Release date: | 2010-10-13 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography. J.Med.Chem., 54, 2011
|
|
4R6C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r6c by Molmil](/molmil-images/mine/4r6c) | |