5U0P
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![BU of 5u0p by Molmil](/molmil-images/mine/5u0p) | Cryo-EM structure of the transcriptional Mediator | Descriptor: | Mediator complex subunit 10, Mediator complex subunit 11, Mediator complex subunit 14, ... | Authors: | Tsai, K.-L, Yu, X, Gopalan, S, Chao, T.-C, Zhang, Y, Florens, L, Washburn, M.P, Murakami, K, Conaway, R.C, Conaway, J.W, Asturias, F. | Deposit date: | 2016-11-26 | Release date: | 2017-03-08 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Mediator structure and rearrangements required for holoenzyme formation. Nature, 544, 2017
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5U0S
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![BU of 5u0s by Molmil](/molmil-images/mine/5u0s) | Cryo-EM structure of the Mediator-RNAPII complex | Descriptor: | Mediator complex subunit 10, Mediator complex subunit 11, Mediator complex subunit 14, ... | Authors: | Tsai, K.-L, Yu, X, Gopalan, S, Chao, T.-C, Zhang, Y, Florens, L, Washburn, M.P, Murakami, K, Conaway, R.C, Conaway, J.W, Asturias, F. | Deposit date: | 2016-11-26 | Release date: | 2017-03-08 | Last modified: | 2020-01-01 | Method: | ELECTRON MICROSCOPY (7.8 Å) | Cite: | Mediator structure and rearrangements required for holoenzyme formation. Nature, 544, 2017
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1TS7
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![BU of 1ts7 by Molmil](/molmil-images/mine/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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1S4R
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![BU of 1s4r by Molmil](/molmil-images/mine/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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1S1Z
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![BU of 1s1z by Molmil](/molmil-images/mine/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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1S1Y
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![BU of 1s1y by Molmil](/molmil-images/mine/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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1TS0
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![BU of 1ts0 by Molmil](/molmil-images/mine/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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1TS6
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![BU of 1ts6 by Molmil](/molmil-images/mine/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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1TS8
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![BU of 1ts8 by Molmil](/molmil-images/mine/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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4GVW
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![BU of 4gvw by Molmil](/molmil-images/mine/4gvw) | Three-dimensional structure of the de novo designed serine hydrolase 2bfq_3, Northeast Structural Genomics Consortium (NESG) Target OR248 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, De novo designed serine hydrolase, ... | Authors: | Kuzin, A, Lew, S, Seetharaman, J, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-08-31 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.113 Å) | Cite: | Northeast Structural Genomics Consortium Target OR248 To be Published
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4GVV
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![BU of 4gvv by Molmil](/molmil-images/mine/4gvv) | Crystal Structure of de novo design serine hydrolase OSH55.27, Northeast Structural Genomics Consortium (NESG) Target OR246 | Descriptor: | De novo design serine hydrolase | Authors: | Kuzin, A, Lew, S, Seetharaman, J, Mao, M, Xiao, R, Kohan, E, Rajagopalan, S, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-08-31 | Release date: | 2012-09-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.895 Å) | Cite: | Northeast Structural Genomics Consortium Target OR246 To be Published
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4JGK
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![BU of 4jgk by Molmil](/molmil-images/mine/4jgk) | Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275 | Descriptor: | evolved variant of a designed serine hydrolase | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Mao, L, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-03-01 | Release date: | 2013-03-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.883 Å) | Cite: | Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275 To be Published
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4JBC
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![BU of 4jbc by Molmil](/molmil-images/mine/4jbc) | Crystal Structure of the computationally designed serine hydrolase 3mmj_2, Northeast Structural Genomics Consortium (NESG) Target OR318 | Descriptor: | PHOSPHATE ION, designed serine hydrolase 3mmj_2 | Authors: | Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Baker, D, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-02-19 | Release date: | 2013-03-20 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Crystal Structure of the computationally designed serine hydrolase 3mmj_2, Northeast Structural Genomics Consortium (NESG) Target OR318 To be Published
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4J4Z
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![BU of 4j4z by Molmil](/molmil-images/mine/4j4z) | Crystal structure of the improved variant of the evolved serine hydrolase, OSH55.4_H1.2, bond with sulfate ion in the active site, Northeast Structural Genomics Consortium (NESG) Target OR301 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Designed serine hydrolase variant OSH55.4_H1.2, ... | Authors: | Kuzin, A.P, Lew, S, Rajagopalan, S, Maglaqui, M, Xiao, R, Lee, D, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-02-07 | Release date: | 2013-03-06 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Crystal structure of the improved variant of the evolved serine hydrolase, OSH55.4_H1.2, bond with sulfate ion in the active site, Northeast Structural Genomics Consortium (NESG) Target OR301 To be Published
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4HF0
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![BU of 4hf0 by Molmil](/molmil-images/mine/4hf0) | Crystal Structure of Apo IscR | Descriptor: | HTH-type transcriptional regulator IscR, SULFATE ION | Authors: | Rajagopalan, S.R, Phillips, K.J. | Deposit date: | 2012-10-04 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Studies of IscR reveal a unique mechanism for metal-dependent regulation of DNA binding specificity. Nat.Struct.Mol.Biol., 20, 2013
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4HF2
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![BU of 4hf2 by Molmil](/molmil-images/mine/4hf2) | |
4HF1
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![BU of 4hf1 by Molmil](/molmil-images/mine/4hf1) | Crystal Structure of IscR bound to its promoter | Descriptor: | DNA (29-MER), HTH-type transcriptional regulator IscR | Authors: | Rajagopalan, S.R, Phillips, K.J. | Deposit date: | 2012-10-04 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.222 Å) | Cite: | Studies of IscR reveal a unique mechanism for metal-dependent regulation of DNA binding specificity. Nat.Struct.Mol.Biol., 20, 2013
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4S0H
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![BU of 4s0h by Molmil](/molmil-images/mine/4s0h) | TBX5 DB, NKX2.5 HD, ANF DNA Complex | Descriptor: | 5'-D(*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP*GP*TP*GP*AP*GP*A)-3', 5'-D(*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP*TP*GP*AP*AP*GP*TP*GP*G)-3', Homeobox protein Nkx-2.5, ... | Authors: | Pradhan, L. | Deposit date: | 2014-12-31 | Release date: | 2015-12-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.817 Å) | Cite: | Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5. Biochemistry, 55, 2016
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7NBJ
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![BU of 7nbj by Molmil](/molmil-images/mine/7nbj) | |
7NBM
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![BU of 7nbm by Molmil](/molmil-images/mine/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
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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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6CHZ
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![BU of 6chz by Molmil](/molmil-images/mine/6chz) | Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224. | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, Estrogen receptor | Authors: | Larsen, N.A. | Deposit date: | 2018-02-23 | Release date: | 2018-03-21 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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6CHW
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![BU of 6chw by Molmil](/molmil-images/mine/6chw) | Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942. | Descriptor: | 1,2-ETHANEDIOL, 4-[(2-{4-[(1E)-1-(1H-indazol-5-yl)-2-phenylbut-1-en-1-yl]phenoxy}ethyl)amino]-N,N-dimethylbutanamide, DIMETHYL SULFOXIDE, ... | Authors: | Larsen, N.A. | Deposit date: | 2018-02-23 | Release date: | 2018-03-21 | Last modified: | 2020-02-26 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer. Cancer Discov, 8, 2018
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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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