1MZU
 
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1T1B
 | | Late intermediate IL2 from time-resolved crystallography of the E46Q mutant of PYP | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | Deposit date: | 2004-04-15 | | Release date: | 2005-01-18 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1T1C
 | | Late intermediate IL3 from time-resolved crystallography of the E46Q mutant of PYP | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | Deposit date: | 2004-04-15 | | Release date: | 2005-01-18 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1T19
 | | Early intermediate IE2 from time-resolved crystallography of the E46Q mutant of PYP | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | Deposit date: | 2004-04-15 | | Release date: | 2005-01-18 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1T1A
 | | Late intermediate IL1 from time-resolved crystallography of the E46Q mutant of PYP | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | Deposit date: | 2004-04-15 | | Release date: | 2005-01-18 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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1T18
 | | Early intermediate IE1 from time-resolved crystallography of the E46Q mutant of PYP | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Rajagopal, S, Anderson, S, Srajer, V, Schmidt, M, Pahl, R, Moffat, K. | | Deposit date: | 2004-04-15 | | Release date: | 2005-01-18 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Structural Pathway for Signaling in the E46Q Mutant of Photoactive Yellow Protein
Structure, 13, 2005
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8GOD
 | | Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589 | | Descriptor: | Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone | | Authors: | Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N. | | Deposit date: | 2022-08-24 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.
Sci Rep, 13, 2023
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5YJI
 | | Co-crystal structure of Mouse 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: | Birudukota, S, Swaminathan, 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 (1.99 Å) | | Cite: | A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 8, 2018
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5YJF
 | | 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
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1TS8
 | | Structure of the pR cis planar intermediate from time-resolved Laue crystallography | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Ihee, H, Rajagopal, S, Srajer, V, Pahl, R, Anderson, S, Schmidt, M, Schotte, F, Anfinrud, P.A, Wulff, M, Moffat, K. | | Deposit date: | 2004-06-21 | | Release date: | 2005-07-05 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1TS6
 | | Structure of the pB2 intermediate from time-resolved Laue crystallography | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Ihee, H, Rajagopal, S, Srajer, V, Pahl, R, Anderson, S, Schmidt, M, Schotte, F, Anfinrud, P.A, Wulff, M, Moffat, K. | | Deposit date: | 2004-06-21 | | Release date: | 2005-07-05 | | Last modified: | 2021-07-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1TS7
 | | Structure of the pR cis wobble and pR E46Q intermediates from time-resolved Laue crystallography | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Ihee, H, Rajagopal, S, Srajer, V, Pahl, R, Anderson, S, Schmidt, M, Schotte, F, Anfinrud, P.A, Wulff, M, Moffat, K. | | Deposit date: | 2004-06-21 | | Release date: | 2005-07-05 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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1S4S
 | | Reaction Intermediate in the Photocycle of PYP, intermediate occupied between 100 micro-seconds to 5 milli-seconds | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Schmidt, M, Pahl, R, Srajer, V, Anderson, S, Ren, Z, Ihee, H, Rajagopal, S, Moffat, K. | | Deposit date: | 2004-01-17 | | Release date: | 2004-04-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protein kinetics: Structures of intermediates and reaction mechanism from time-resolved x-ray data
Proc.Natl.Acad.Sci.USA, 101, 2004
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1S1Y
 | | Photoactivated chromophore conformation in Photoactive Yellow Protein (E46Q mutant) from 10 microseconds to 3 milliseconds | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Anderson, S, Srajer, V, Pahl, R, Rajagopal, S, Schotte, F, Anfinrud, P, Wulff, M, Moffat, K. | | Deposit date: | 2004-01-07 | | Release date: | 2004-06-15 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Chromophore conformation and the evolution of tertiary structural changes in photoactive yellow protein
Structure, 12, 2004
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1S1Z
 | | Photoactivated chromophore conformation in Photoactive Yellow Protein (E46Q mutant) from 10 to 500 nanoseconds | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive Yellow Protein | | Authors: | Anderson, S, Srajer, V, Pahl, R, Rajagopal, S, Schotte, F, Anfinrud, P, Wulff, M, Moffat, K. | | Deposit date: | 2004-01-07 | | Release date: | 2004-06-15 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Chromophore conformation and the evolution of tertiary structural changes in photoactive yellow protein
Structure, 12, 2004
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1S4R
 | | Structure of a reaction intermediate in the photocycle of PYP extracted by a SVD-driven analysis | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Schmidt, M, Pahl, R, Srajer, V, Anderson, S, Ren, Z, Ihee, H, Rajagopal, S, Moffat, K. | | Deposit date: | 2004-01-17 | | Release date: | 2004-04-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Protein kinetics: Structures of intermediates and reaction mechanism from time-resolved x-ray data
Proc.Natl.Acad.Sci.USA, 101, 2004
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1TS0
 | | Structure of the pB1 intermediate from time-resolved Laue crystallography | | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein | | Authors: | Ihee, H, Rajagopal, S, Srajer, V, Pahl, R, Anderson, S, Schmidt, M, Schotte, F, Anfinrud, P.A, Wulff, M, Moffat, K. | | Deposit date: | 2004-06-21 | | Release date: | 2005-07-05 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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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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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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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
 | | 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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7NBJ
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7NBM
 | | 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
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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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7CZ9
 | | Crystal structure of multidrug efflux transporter OqxB from Klebsiella pneumoniae | | Descriptor: | DODECYL-BETA-D-MALTOSIDE, Efflux pump membrane transporter, GLYCEROL, ... | | Authors: | Murakami, S, Okada, U, Yamashita, E. | | Deposit date: | 2020-09-07 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure and function relationship of OqxB efflux pump from Klebsiella pneumoniae.
Nat Commun, 12, 2021
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