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1S1Y
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BU of 1s1y by Molmil
Photoactivated chromophore conformation in Photoactive Yellow Protein (E46Q mutant) from 10 microseconds to 3 milliseconds
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Anderson, S, Srajer, V, Pahl, R, Rajagopal, S, Schotte, F, Anfinrud, P, Wulff, M, Moffat, K.
登録日2004-01-07
公開日2004-06-15
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Chromophore conformation and the evolution of tertiary structural changes in photoactive yellow protein
Structure, 12, 2004
4JGK
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BU of 4jgk by Molmil
Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275
分子名称: evolved variant of a designed serine hydrolase
著者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)
登録日2013-03-01
公開日2013-03-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.883 Å)
主引用文献Crystal Structure of the evolved variant of the computationally designed serine hydrolase, Northeast Structural Genomics Consortium (NESG) Target OR275
To be Published
1S1Z
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BU of 1s1z by Molmil
Photoactivated chromophore conformation in Photoactive Yellow Protein (E46Q mutant) from 10 to 500 nanoseconds
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive Yellow Protein
著者Anderson, S, Srajer, V, Pahl, R, Rajagopal, S, Schotte, F, Anfinrud, P, Wulff, M, Moffat, K.
登録日2004-01-07
公開日2004-06-15
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Chromophore conformation and the evolution of tertiary structural changes in photoactive yellow protein
Structure, 12, 2004
5U0S
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BU of 5u0s by Molmil
Cryo-EM structure of the Mediator-RNAPII complex
分子名称: Mediator complex subunit 10, Mediator complex subunit 11, Mediator complex subunit 14, ...
著者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.
登録日2016-11-26
公開日2017-03-08
最終更新日2020-01-01
実験手法ELECTRON MICROSCOPY (7.8 Å)
主引用文献Mediator structure and rearrangements required for holoenzyme formation.
Nature, 544, 2017
1S4R
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BU of 1s4r by Molmil
Structure of a reaction intermediate in the photocycle of PYP extracted by a SVD-driven analysis
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Schmidt, M, Pahl, R, Srajer, V, Anderson, S, Ren, Z, Ihee, H, Rajagopal, S, Moffat, K.
登録日2004-01-17
公開日2004-04-13
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein kinetics: Structures of intermediates and reaction mechanism from time-resolved x-ray data
Proc.Natl.Acad.Sci.USA, 101, 2004
4J4Z
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BU of 4j4z by Molmil
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
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Designed serine hydrolase variant OSH55.4_H1.2, ...
著者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)
登録日2013-02-07
公開日2013-03-06
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献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
4K0C
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BU of 4k0c by Molmil
Crystal Structure of the computationally designed serine hydrolase. Northeast Structural Genomics Consortium (NESG) Target OR317
分子名称: designed serine hydrolase
著者Kuzin, A, Lew, S, Rajagopalan, S, Seetharaman, J, 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)
登録日2013-04-03
公開日2013-04-24
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (3.002 Å)
主引用文献Northeast Structural Genomics Consortium Target OR317
To be Published
4JBC
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BU of 4jbc by Molmil
Crystal Structure of the computationally designed serine hydrolase 3mmj_2, Northeast Structural Genomics Consortium (NESG) Target OR318
分子名称: PHOSPHATE ION, designed serine hydrolase 3mmj_2
著者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)
登録日2013-02-19
公開日2013-03-20
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.005 Å)
主引用文献Crystal Structure of the computationally designed serine hydrolase 3mmj_2, Northeast Structural Genomics Consortium (NESG) Target OR318
To be Published
1TS8
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BU of 1ts8 by Molmil
Structure of the pR cis planar intermediate from time-resolved Laue crystallography
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Ihee, H, Rajagopal, S, Srajer, V, Pahl, R, Anderson, S, Schmidt, M, Schotte, F, Anfinrud, P.A, Wulff, M, Moffat, K.
登録日2004-06-21
公開日2005-07-05
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1TS0
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BU of 1ts0 by Molmil
Structure of the pB1 intermediate from time-resolved Laue crystallography
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Ihee, H, Rajagopal, S, Srajer, V, Pahl, R, Anderson, S, Schmidt, M, Schotte, F, Anfinrud, P.A, Wulff, M, Moffat, K.
登録日2004-06-21
公開日2005-07-05
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1TS6
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BU of 1ts6 by Molmil
Structure of the pB2 intermediate from time-resolved Laue crystallography
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Ihee, H, Rajagopal, S, Srajer, V, Pahl, R, Anderson, S, Schmidt, M, Schotte, F, Anfinrud, P.A, Wulff, M, Moffat, K.
登録日2004-06-21
公開日2005-07-05
最終更新日2021-07-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
Proc.Natl.Acad.Sci.Usa, 102, 2005
1TS7
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BU of 1ts7 by Molmil
Structure of the pR cis wobble and pR E46Q intermediates from time-resolved Laue crystallography
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Ihee, H, Rajagopal, S, Srajer, V, Pahl, R, Anderson, S, Schmidt, M, Schotte, F, Anfinrud, P.A, Wulff, M, Moffat, K.
登録日2004-06-21
公開日2005-07-05
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Visualizing reaction pathways in photoactive yellow protein from nanoseconds to seconds.
Proc.Natl.Acad.Sci.Usa, 102, 2005
4GVW
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BU of 4gvw by Molmil
Three-dimensional structure of the de novo designed serine hydrolase 2bfq_3, Northeast Structural Genomics Consortium (NESG) Target OR248
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETIC ACID, De novo designed serine hydrolase, ...
著者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)
登録日2012-08-31
公開日2012-09-12
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.113 Å)
主引用文献Northeast Structural Genomics Consortium Target OR248
To be Published
4GVV
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BU of 4gvv by Molmil
Crystal Structure of de novo design serine hydrolase OSH55.27, Northeast Structural Genomics Consortium (NESG) Target OR246
分子名称: De novo design serine hydrolase
著者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)
登録日2012-08-31
公開日2012-09-12
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.895 Å)
主引用文献Northeast Structural Genomics Consortium Target OR246
To be Published
4HF0
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BU of 4hf0 by Molmil
Crystal Structure of Apo IscR
分子名称: HTH-type transcriptional regulator IscR, SULFATE ION
著者Rajagopalan, S.R, Phillips, K.J.
登録日2012-10-04
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Studies of IscR reveal a unique mechanism for metal-dependent regulation of DNA binding specificity.
Nat.Struct.Mol.Biol., 20, 2013
4HF2
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BU of 4hf2 by Molmil
Crystal Structure of E43A IscR mutant bound to its promoter
分子名称: DNA (29-MER), HTH-type transcriptional regulator IscR
著者Rajagopalan, S.R, Phillips, K.J.
登録日2012-10-04
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Studies of IscR reveal a unique mechanism for metal-dependent regulation of DNA binding specificity.
Nat.Struct.Mol.Biol., 20, 2013
4HF1
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BU of 4hf1 by Molmil
Crystal Structure of IscR bound to its promoter
分子名称: DNA (29-MER), HTH-type transcriptional regulator IscR
著者Rajagopalan, S.R, Phillips, K.J.
登録日2012-10-04
公開日2013-05-08
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.222 Å)
主引用文献Studies of IscR reveal a unique mechanism for metal-dependent regulation of DNA binding specificity.
Nat.Struct.Mol.Biol., 20, 2013
4S0H
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BU of 4s0h by Molmil
TBX5 DB, NKX2.5 HD, ANF DNA Complex
分子名称: 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, ...
著者Pradhan, L.
登録日2014-12-31
公開日2015-12-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.817 Å)
主引用文献Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5.
Biochemistry, 55, 2016
6CHW
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BU of 6chw by Molmil
Estrogen Receptor Alpha Y537S covalently bound to antagonist H3B-5942.
分子名称: 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, ...
著者Larsen, N.A.
登録日2018-02-23
公開日2018-03-21
最終更新日2020-02-26
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 2018
6CHZ
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BU of 6chz by Molmil
Estrogen Receptor Alpha Y537S bound to antagonist H3B-9224.
分子名称: 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
著者Larsen, N.A.
登録日2018-02-23
公開日2018-03-21
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Discovery of Selective Estrogen Receptor Covalent Antagonists for the Treatment of ER alphaWTand ER alphaMUTBreast Cancer.
Cancer Discov, 8, 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)
分子名称: 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Schreuder, H.A, Liesum, A.
登録日2021-01-15
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.326 Å)
主引用文献Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
7BLE
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BU of 7ble by Molmil
Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with the tricyclic inhibitor (3)
分子名称: 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
著者Schreuder, H.A, Liesum, A.
登録日2021-01-18
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.809 Å)
主引用文献Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
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)
分子名称: 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
著者Schreuder, H.A, Liesum, A.
登録日2021-01-27
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.275 Å)
主引用文献Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021
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)
分子名称: (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
著者Schreuder, H.A, Liesum, A.
登録日2021-01-27
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.691 Å)
主引用文献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)
分子名称: 2-methyl-1,2,6,7-tetrahydro-3H,5H-pyrido[3,2,1-ij]quinazolin-3-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Schreuder, H.A, Liesum, A.
登録日2021-01-27
公開日2021-03-17
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.479 Å)
主引用文献Novel Inhibitors of Nicotinamide- N -Methyltransferase for the Treatment of Metabolic Disorders.
Molecules, 26, 2021

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