7NBQ
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![BU of 7nbq by Molmil](/molmil-images/mine/7nbq) | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (4) | Descriptor: | 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2021-01-27 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.479 Å) | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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7YV1
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![BU of 7yv1 by Molmil](/molmil-images/mine/7yv1) | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor LUNA18 and KA30L Fab | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, KA30L Fab H-chain, ... | Authors: | Irie, M, Fukami, T.A, Matsuo, A, Saka, K, Nishimura, M, Saito, H, Torizawa, T, Tanada, M, Ohta, A. | Deposit date: | 2022-08-18 | Release date: | 2023-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.454 Å) | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
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7YUZ
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![BU of 7yuz by Molmil](/molmil-images/mine/7yuz) | Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP8784 | Descriptor: | AP8784, GUANOSINE-5'-DIPHOSPHATE, IODIDE ION, ... | Authors: | Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T. | Deposit date: | 2022-08-18 | Release date: | 2023-07-26 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.878 Å) | Cite: | Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J.Am.Chem.Soc., 145, 2023
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3X27
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![BU of 3x27 by Molmil](/molmil-images/mine/3x27) | Structure of McbB in complex with tryptophan | Descriptor: | Cucumopine synthase, TRYPTOPHAN | Authors: | Mori, T, Sahashi, S, Morita, H, Abe, I. | Deposit date: | 2014-12-10 | Release date: | 2015-10-28 | Last modified: | 2015-11-04 | Method: | X-RAY DIFFRACTION (2.481 Å) | Cite: | Structural Basis for beta-Carboline Alkaloid Production by the Microbial Homodimeric Enzyme McbB Chem.Biol., 22, 2015
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3X2I
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![BU of 3x2i by Molmil](/molmil-images/mine/3x2i) | X-ray structure of PcCel45A N92D apo form at 298K. | Descriptor: | 3-methylpentane-1,5-diol, Endoglucanase V-like protein | Authors: | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-07 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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3X2H
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![BU of 3x2h by Molmil](/molmil-images/mine/3x2h) | X-ray structure of PcCel45A N92D with cellopentaose at 95K. | Descriptor: | 3-methylpentane-1,5-diol, Endoglucanase V-like protein, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | Authors: | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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3X2J
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![BU of 3x2j by Molmil](/molmil-images/mine/3x2j) | X-ray structure of PcCel45A D114N apo form at 95K. | Descriptor: | 3-methylpentane-1,5-diol, Endoglucanase V-like protein | Authors: | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-07 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1.301 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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3X2G
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![BU of 3x2g by Molmil](/molmil-images/mine/3x2g) | X-ray structure of PcCel45A N92D apo form at 100K | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methylpentane-1,5-diol, Endoglucanase V-like protein | Authors: | Nakamura, A, Ishida, T, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-07 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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3X2L
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![BU of 3x2l by Molmil](/molmil-images/mine/3x2l) | X-ray structure of PcCel45A apo form at 95K. | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methylpentane-1,5-diol, Endoglucanase V-like protein | Authors: | Nakamura, A, Ishida, T, Ohta, K, Tanaka, H, Inaka, K, Samejima, M, Igarashi, K. | Deposit date: | 2014-12-22 | Release date: | 2015-10-14 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (0.83 Å) | Cite: | "Newton's cradle" proton relay with amide-imidic acid tautomerization in inverting cellulase visualized by neutron crystallography. Sci Adv, 1, 2015
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5X9K
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![BU of 5x9k by Molmil](/molmil-images/mine/5x9k) | |
3ANW
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![BU of 3anw by Molmil](/molmil-images/mine/3anw) | A protein complex essential initiation of DNA replication | Descriptor: | Putative uncharacterized protein | Authors: | Oyama, T, Shirai, T, Nagasawa, N, Ishino, Y, Morikawa, K. | Deposit date: | 2010-09-10 | Release date: | 2011-07-27 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Architectures of archaeal GINS complexes, essential DNA replication initiation factors Bmc Biol., 9, 2011
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7E15
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![BU of 7e15 by Molmil](/molmil-images/mine/7e15) | |
7EU5
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![BU of 7eu5 by Molmil](/molmil-images/mine/7eu5) | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000107 | Descriptor: | 6-fluoranyl-10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | Deposit date: | 2021-05-16 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.731 Å) | Cite: | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep, 12, 2022
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7ET7
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![BU of 7et7 by Molmil](/molmil-images/mine/7et7) | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000028 | Descriptor: | 10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | Deposit date: | 2021-05-12 | Release date: | 2022-05-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep, 12, 2022
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5XVQ
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![BU of 5xvq by Molmil](/molmil-images/mine/5xvq) | Crystal structure of monkey Nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl Nicotinamide (MNA) | Descriptor: | 3-carbamoyl-1-methylpyridin-1-ium, GLYCEROL, Nicotinamide N-methyltransferase (NNMT), ... | Authors: | Birudukota, S, Swaminathan, S, Thakur, M.K, Parveen, R, Kandan, S, Kannt, A, Gosu, R. | Deposit date: | 2017-06-28 | Release date: | 2017-08-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal structures of monkey and mouse nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl nicotinamide Biochem. Biophys. Res. Commun., 491, 2017
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5XVK
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![BU of 5xvk by Molmil](/molmil-images/mine/5xvk) | Crystal structure of mouse Nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl Nicotinamide (MNA) | Descriptor: | 3-carbamoyl-1-methylpyridin-1-ium, GLYCEROL, Nicotinamide N-methyltransferase, ... | Authors: | Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Kannt, A, Gosu, R. | Deposit date: | 2017-06-28 | Release date: | 2017-08-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structures of monkey and mouse nicotinamide N-methyltransferase (NNMT) bound with end product, 1-methyl nicotinamide Biochem. Biophys. Res. Commun., 491, 2017
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6YQH
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![BU of 6yqh by Molmil](/molmil-images/mine/6yqh) | GH146 beta-L-arabinofuranosidase bound to covalent inhibitor | Descriptor: | (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetyl-CoA carboxylase, ... | Authors: | McGregor, N.G.S, Davies, G.J. | Deposit date: | 2020-04-17 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.41 Å) | Cite: | Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor. Angew.Chem.Int.Ed.Engl., 60, 2021
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4BJA
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![BU of 4bja by Molmil](/molmil-images/mine/4bja) | Globin-like protein Glb-12 from C.elegans | Descriptor: | ACETATE ION, PROTEIN GLB-12, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | De Henau, S, Tilleman, L, Germani, F, Pauwels, M, Vlaeminck, C, Vanfleteren, J.R, Bert, W, Pesce, A, Nardini, M, Bolognesi, M, De Wael, K, Moens, L, Dewilde, S, Braeckman, B.P. | Deposit date: | 2013-04-17 | Release date: | 2014-05-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | A Redox Signalling Globin is Essential for Reproduction in Caenorhabditis Elegans. Nat.Commun., 6, 2015
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1LMC
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![BU of 1lmc by Molmil](/molmil-images/mine/1lmc) | THE CRYSTAL STRUCTURE OF A COMPLEX BETWEEN BULGECIN, A BACTERIAL METABOLITE, AND LYSOZYME FROM THE RAINBOW TROUT | Descriptor: | BULGECIN A, LYSOZYME | Authors: | Karlsen, S, Hough, E. | Deposit date: | 1994-11-14 | Release date: | 1996-01-01 | Last modified: | 2023-07-26 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure of a complex between bulgecin, a bacterial metabolite, and lysozyme from the rainbow trout. Acta Crystallogr.,Sect.D, 52, 1996
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7BKG
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![BU of 7bkg by Molmil](/molmil-images/mine/7bkg) | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (2) | Descriptor: | 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2021-01-15 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.326 Å) | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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7BLE
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![BU of 7ble by Molmil](/molmil-images/mine/7ble) | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (3) | Descriptor: | 3-ethyl-1,3-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-2-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Schreuder, H.A, Liesum, A. | Deposit date: | 2021-01-18 | Release date: | 2021-03-17 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.809 Å) | Cite: | Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders. Molecules, 26, 2021
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1LSP
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![BU of 1lsp by Molmil](/molmil-images/mine/1lsp) | THE CRYSTAL STRUCTURE OF A BULGECIN-INHIBITED G-TYPE LYSOZYME FROM THE EGG-WHITE OF THE AUSTRALIAN BLACK SWAN. A COMPARISON OF THE BINDING OF BULGECIN TO THREE MURAMIDASES | Descriptor: | BULGECIN A, LYSOZYME | Authors: | Karlsen, S, Rao, Z.H, Hough, E, Isaacs, N.W. | Deposit date: | 1995-02-09 | Release date: | 1996-01-01 | Last modified: | 2014-03-19 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of a bulgecin-inhibited g-type lysozyme from the egg white of the Australian black swan. A comparison of the binding of bulgecin to three muramidases. Acta Crystallogr.,Sect.D, 52, 1996
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4JDE
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![BU of 4jde by Molmil](/molmil-images/mine/4jde) | Crystal structure of PUD-1/PUD-2 heterodimer | Descriptor: | CHLORIDE ION, GLYCEROL, Protein F15E11.1, ... | Authors: | Luo, S, Ye, K. | Deposit date: | 2013-02-25 | Release date: | 2013-11-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Characterization of PUD-1 and PUD-2, two proteins up-regulated in a long-lived daf-2 mutant. Plos One, 8, 2013
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4YOX
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![BU of 4yox by Molmil](/molmil-images/mine/4yox) | |
4YOU
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![BU of 4you by Molmil](/molmil-images/mine/4you) | |