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PDB: 22 results

7WMT
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BU of 7wmt by Molmil
Crystal structure of small molecule 13 bound to human Nicotinamide N-methyltransferase
Descriptor: Nicotinamide N-methyltransferase, [(2~{R},4~{S})-4-[2-(aminomethyl)imidazol-1-yl]-2-[1-[(4-chlorophenyl)methyl]-5-methyl-indol-2-yl]pyrrolidin-1-yl]-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)methanone
Authors:Yoshida, S, Uehara, S, Kondo, N, Takahashi, Y, Yamamoto, S, Kameda, A, Kawagoe, S, Inoue, N, Yamada, M, Yoshimura, N, Tachibana, Y.
Deposit date:2022-01-17
Release date:2022-08-31
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides.
J.Med.Chem., 65, 2022
7EGU
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BU of 7egu by Molmil
Structure of human NNMT in complex with macrocyclic peptide X
Descriptor: Nicotinamide N-methyltransferase, macrocyclic peptide X
Authors:Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M.
Deposit date:2021-03-26
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
Acs Med.Chem.Lett., 12, 2021
2IIP
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BU of 2iip by Molmil
Human Nicotinamide N-methyltransferase
Descriptor: Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Bernstein, G, Min, J, Wu, H, Tempel, W, Zeng, H, Loppnau, P, Avvakumov, G.V, Wasney, G, Weigelt, J, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2006-09-28
Release date:2006-10-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Crystal Structure of Human Nicotinamide N-methyltransferase in complex with SAH
To be Published
7SOK
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BU of 7sok by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor II329
Descriptor: (2S)-2-amino-4-([3-(3-carbamoylphenyl)prop-2-yn-1-yl]{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)butanoic acid, DI(HYDROXYETHYL)ETHER, NNMT protein
Authors:Yadav, R, Iyamu, I.D, Huang, R, Noinaj, N.
Deposit date:2021-10-31
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor II329
To Be Published
7RKL
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BU of 7rkl by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (P1 space group)
Descriptor: 3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide, NNMT protein, SULFATE ION
Authors:Yadav, R, Noinaj, N, Iyamu, I.D, Huang, R.
Deposit date:2021-07-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Exploring Unconventional SAM Analogues To Build Cell-Potent Bisubstrate Inhibitors for Nicotinamide N-Methyltransferase.
Angew.Chem.Int.Ed.Engl., 61, 2022
7EI2
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BU of 7ei2 by Molmil
Structure of human NNMT in complex with macrocyclic peptide 8
Descriptor: Nicotinamide N-methyltransferase, macrocyclic peptide 8
Authors:Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M.
Deposit date:2021-03-30
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
Acs Med.Chem.Lett., 12, 2021
6ORR
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BU of 6orr by Molmil
Co-crystal structure of human NicotinamideN-Methyltransferase (NNMT) in complex with High-Affinity Alkynyl Bisubstrate Inhibitor NS1
Descriptor: 9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine, GLYCEROL, NNMT protein
Authors:May, E.J, Policarpo, R.L, Gaudet, R.
Deposit date:2019-04-30
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:High-Affinity Alkynyl Bisubstrate Inhibitors of NicotinamideN-Methyltransferase (NNMT).
J.Med.Chem., 62, 2019
7NBJ
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BU of 7nbj by Molmil
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the bisubstrate-like inhibitor (1)
Descriptor: 2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methyl-3-(3-methyl-4-phenyl-1H-pyrazol-1-yl)propan-1-one, GLYCEROL, Nicotinamide N-methyltransferase
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 (2.275 Å)
Cite:Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
6PVE
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BU of 6pve by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor LL319
Descriptor: 9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine, NNMT protein
Authors:Noinaj, N, Huang, R, Chen, D, Yadav, R.
Deposit date:2019-07-20
Release date:2019-11-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Novel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for NicotinamideN-Methyltransferase.
J.Med.Chem., 62, 2019
6CHH
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BU of 6chh by Molmil
Structure of human NNMT in complex with bisubstrate inhibitor MS2756
Descriptor: (2~{S})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid, 1,2-ETHANEDIOL, Nicotinamide N-methyltransferase
Authors:Babault, N, Liu, J, Jin, J.
Deposit date:2018-02-22
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).
J. Med. Chem., 61, 2018
7BKG
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BU of 7bkg by Molmil
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
7NBQ
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BU of 7nbq by Molmil
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
5YJF
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BU of 5yjf by Molmil
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with small molecule analog of Nicotinamide
Descriptor: 6-methoxy-1-methyl-2H-pyridine-3-carboxamide, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Swaminathan, S, Birudukota, S, Thakur, M.K, Parveen, R, Kandan, S, Hallur, M.S, Rajagopal, S, Ruf, S, Dhakshinamoorthy, S, Kannt, A, Gosu, R.
Deposit date:2017-10-10
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
7EHZ
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BU of 7ehz by Molmil
Structure of human NNMT in complex with macrocyclic peptide 2
Descriptor: Nicotinamide N-methyltransferase, macrocyclic peptide 2
Authors:Hayashi, K, Mikamiyama, H, Uehara, S, Yamamoto, S, Cary, D, Nishikawa, J, Ueda, T, Ozasa, H, Mihara, K, Yoshimura, N, Kawai, T, Ono, T, Yamamoto, S, Fumoto, M.
Deposit date:2021-03-30
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
Acs Med.Chem.Lett., 12, 2021
7WMC
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BU of 7wmc by Molmil
Crystal structure of macrocyclic peptide 1 bound to human Nicotinamide N-methyltransferase
Descriptor: Nicotinamide N-methyltransferase, Peptide1
Authors:Yoshida, S, Uehara, S, Kondo, N, Takahashi, Y, Yamamoto, S, Kameda, A, Kawagoe, S, Inoue, N, Yamada, M, Yoshimura, N, Tachibana, Y.
Deposit date:2022-01-14
Release date:2022-08-31
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides.
J.Med.Chem., 65, 2022
6PVS
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BU of 6pvs by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor LL320
Descriptor: 9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine, NNMT protein
Authors:Noinaj, N, Huang, R, Chen, D, Yadav, R.
Deposit date:2019-07-21
Release date:2019-11-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.575 Å)
Cite:Novel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for NicotinamideN-Methyltransferase.
J.Med.Chem., 62, 2019
7ET7
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BU of 7et7 by Molmil
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
7NBM
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BU of 7nbm by Molmil
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the bisubstrate-like inhibitor (33)
Descriptor: (E)-3-((5,6-dihydro-2H,4H-thiazolo[5,4,3-ij]quinolin-2-ylidene)amino)-2-hydroxy-1-(4-(isoquinolin-5-yl)piperazin-1-yl)-2-methylpropan-1-one, Nicotinamide N-methyltransferase
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 (2.691 Å)
Cite:Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
3ROD
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BU of 3rod by Molmil
Methyltransferase
Descriptor: NICOTINAMIDE, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Peng, Y, Yee, V.C.
Deposit date:2011-04-25
Release date:2011-09-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural basis of substrate recognition in human nicotinamide N-methyltransferase.
Biochemistry, 50, 2011
7EU5
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BU of 7eu5 by Molmil
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
7RKK
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BU of 7rkk by Molmil
Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with II399 (C2 space group)
Descriptor: 3-[3-(acetyl{[(1R,2R,3S,4R)-4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,3-dihydroxycyclopentyl]methyl}amino)prop-1-yn-1-yl]benzamide, NNMT protein
Authors:Yadav, R, Noinaj, N, Iyamu, I.D, Huang, R.
Deposit date:2021-07-22
Release date:2022-07-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Exploring Unconventional SAM Analogues To Build Cell-Potent Bisubstrate Inhibitors for Nicotinamide N-Methyltransferase.
Angew.Chem.Int.Ed.Engl., 61, 2022
7BLE
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BU of 7ble by Molmil
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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