6PVS
 
 | | 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
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6PVE
 | | 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
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7RKL
 | | 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
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7RKK
 | | 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
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5VCA
 | | VCP like ATPase from T. acidophilum (VAT)-Substrate bound conformation | | Descriptor: | VCP-like ATPase | | Authors: | Ripstein, Z.A, Huang, R, Augustyniak, R, Kay, L.E, Rubinstein, J.L. | | Deposit date: | 2017-03-31 | | Release date: | 2017-04-26 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Structure of a AAA+ unfoldase in the process of unfolding substrate.
Elife, 6, 2017
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5VC7
 | | VCP like ATPase from T. acidophilum (VAT) - conformation 1 | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, VCP-like ATPase | | Authors: | Ripstein, Z.A, Huang, R, Augustyniak, R, Kay, L.E, Rubinstein, J.L. | | Deposit date: | 2017-03-31 | | Release date: | 2017-04-26 | | Last modified: | 2020-01-15 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of a AAA+ unfoldase in the process of unfolding substrate.
Elife, 6, 2017
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7N0H
 | | CryoEM structure of SARS-CoV-2 spike protein (S-6P, 2-up) in complex with sybodies (Sb45) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Jiang, J, Huang, R, Margulies, D. | | Deposit date: | 2021-05-25 | | Release date: | 2021-06-02 | | Last modified: | 2021-10-20 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021
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7N0G
 | | CryoEm structure of SARS-CoV-2 spike protein (S-6P, 1-up) in complex with sybodies (Sb45) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ... | | Authors: | Jiang, J, Huang, R, Margulies, D. | | Deposit date: | 2021-05-25 | | Release date: | 2021-06-02 | | Last modified: | 2021-10-20 | | Method: | ELECTRON MICROSCOPY (3.02 Å) | | Cite: | Structures of synthetic nanobody-SARS-CoV-2 receptor-binding domain complexes reveal distinct sites of interaction.
J.Biol.Chem., 297, 2021
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6DTN
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6PVB
 | | The structure of NTMT1 in complex with compound 6 | | Descriptor: | AMINO GROUP-()-(2~{S})-2-azanylpropanal-()-ISOLEUCINE-()-ARGININE-()-LYSINE-()-PROLINE-()-AMINO-ACETALDEHYDE-()-9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Noinaj, N, Chen, D, Huang, R. | | Deposit date: | 2019-07-20 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Probing the Plasticity in the Active Site of Protein N-terminal Methyltransferase 1 Using Bisubstrate Analogues.
J.Med.Chem., 63, 2020
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6PVA
 | | The structure of NTMT1 in complex with compound 11 | | Descriptor: | AMINO GROUP-()-LYSINE-()-LYSINE-()-PROLINE-()-AMINO-ACETALDEHYDE-()-5'-{[(3S)-3-amino-3-carboxypropyl](3-aminopropyl)amino}-5'-deoxyadenosine, N-terminal Xaa-Pro-Lys N-methyltransferase 1 | | Authors: | Noinaj, N, Chen, D, Huang, R. | | Deposit date: | 2019-07-20 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The structure of NTMT1 in complex with compound 11
To Be published
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6UI7
 | | HBV T=4 149C3A | | Descriptor: | Core protein | | Authors: | Wu, W, Watts, N.R, Cheng, N, Huang, R, Steven, A, Wingfield, P.T. | | Deposit date: | 2019-09-30 | | Release date: | 2019-11-06 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Expression of quasi-equivalence and capsid dimorphism in the Hepadnaviridae.
Plos Comput.Biol., 16, 2020
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6UI6
 | | HBV T=3 149C3A | | Descriptor: | Core protein | | Authors: | Wu, W, Watts, N.R, Cheng, N, Huang, R, Steven, A, Wingfield, P.T. | | Deposit date: | 2019-09-30 | | Release date: | 2019-11-06 | | Last modified: | 2024-03-13 | | Method: | ELECTRON MICROSCOPY (3.53 Å) | | Cite: | Expression of quasi-equivalence and capsid dimorphism in the Hepadnaviridae.
Plos Comput.Biol., 16, 2020
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6WJ7
 | | The structure of NTMT1 in complex with compound C2A | | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl](ethyl)amino}-5'-deoxyadenosine, GLY-PRO-LYS-ARG-ILE-ALA-NH2, N-terminal Xaa-Pro-Lys N-methyltransferase 1 | | Authors: | Srinivasan, K, Chen, D, Huang, R, Noinaj, N. | | Deposit date: | 2020-04-13 | | Release date: | 2020-08-19 | | Last modified: | 2024-04-24 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Probing the Plasticity in the Active Site of Protein N-terminal Methyltransferase 1 Using Bisubstrate Analogues.
J.Med.Chem., 63, 2020
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6WH8
 | | The structure of NTMT1 in complex with compound BM-30 | | Descriptor: | 4HP-PRO-LYS-ARG-NH2, BM-30, N-terminal Xaa-Pro-Lys N-methyltransferase 1, ... | | Authors: | Noinaj, N, Chen, D, Huang, R. | | Deposit date: | 2020-04-07 | | Release date: | 2020-08-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.729 Å) | | Cite: | Selective Peptidomimetic Inhibitors of NTMT1/2: Rational Design, Synthesis, Characterization, and Crystallographic Studies.
J.Med.Chem., 63, 2020
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7SOK
 | | 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
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7SS1
 | | The structure of NTMT1 in complex with compound GD433 | | Descriptor: | (1R,3S,4R)-1-azabicyclo[2.2.2]octan-3-yl {2-[2-(4-fluoro-3-hydroxyphenyl)-1,3-thiazol-4-yl]propan-2-yl}carbamate, N-terminal Xaa-Pro-Lys N-methyltransferase 1, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Yadav, R, Guangping, D, Deng, Y, Huang, R, Noinaj, N. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Discovery of a first-in-class small molecule inhibitor for Protein N-terminal methyltransferases 1/2
To Be Published
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8G2G
 | | Crystal structure of PRMT3 with compound YD1113 | | Descriptor: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3, SULFATE ION | | Authors: | Song, X, Dong, A, Arrowsmith, C.H, Edwards, A.M, Deng, Y, Huang, R, Min, J. | | Deposit date: | 2023-02-03 | | Release date: | 2023-04-26 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
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8G2F
 | | Crystal Structure of PRMT3 with Compound II710 | | Descriptor: | 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3 | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-03 | | Release date: | 2023-05-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
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8G2H
 | | Crystal Structure of PRMT4 with Compound YD1113 | | Descriptor: | 5'-S-[2-(benzylcarbamamido)ethyl]-5'-thioadenosine, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-03 | | Release date: | 2023-12-13 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
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8G2I
 | | Crystal Structure of PRMT4 with Compound YD1290 | | Descriptor: | 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION | | Authors: | Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-02-03 | | Release date: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
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2M33
 | | Solution NMR structure of full-length oxidized microsomal rabbit cytochrome b5 | | Descriptor: | Cytochrome b5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Subramanian, V, Ahuja, S, Popovych, N, Huang, R, Le Clair, S.V, Jahr, N, Soong, R, Xu, J, Yamamoto, K, Nanga, R.P, Im, S, Waskell, L, Ramamoorthy, A. | | Deposit date: | 2013-01-08 | | Release date: | 2013-02-06 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | NMR structure of full-length mammalian cytochrome b5
To be Published
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3JBM
 | | Electron cryo-microscopy of a virus-like particle of orange-spotted grouper nervous necrosis virus | | Descriptor: | virus-like particle of orange-spotted grouper nervous necrosis virus | | Authors: | Xie, J, Li, K, Gao, Y, Huang, R, Lai, Y, Shi, Y, Yang, S, Zhu, G, Zhang, Q, He, J. | | Deposit date: | 2015-09-06 | | Release date: | 2016-10-19 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural analysis and insertion study reveal the ideal sites for surface displaying foreign peptides on a betanodavirus-like particle
Vet. Res., 47, 2016
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3JD6
 | | Double octamer structure of retinoschisin, a cell-cell adhesion protein of the retina | | Descriptor: | Retinoschisin | | Authors: | Tolun, G, Vijayasarathy, C, Huang, R, Zeng, Y, Li, Y, Steven, A.C, Sieving, P.A, Heymann, J.B. | | Deposit date: | 2016-04-12 | | Release date: | 2016-05-11 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Paired octamer rings of retinoschisin suggest a junctional model for cell-cell adhesion in the retina.
Proc.Natl.Acad.Sci.USA, 113, 2016
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3LOB
 | | Crystal Structure of Flock House Virus calcium mutant | | Descriptor: | Coat protein beta, Coat protein gamma, RNA (5'-R(*UP*UP*U*AP*UP*CP*UP*(P))-3'), ... | | Authors: | Johnson, J.E, Banerjee, M, Speir, J.A, Huang, R. | | Deposit date: | 2010-02-03 | | Release date: | 2010-04-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure and function of a genetically engineered mimic of a nonenveloped virus entry intermediate.
J.Virol., 84, 2010
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