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7RIP
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BU of 7rip by Molmil
RNA polymerase II elongation complex with hairpin polyamide Py-Im 1, scaffold 1 soaked with CTP
Descriptor: 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, ...
Authors:Oh, J, Dervan, P.B, Wang, D.
Deposit date:2021-07-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RIQ
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BU of 7riq by Molmil
RNA polymerase II elongation complex scaffold 1 without polyamide
Descriptor: DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ...
Authors:Oh, J, Dervan, P.B, Wang, D.
Deposit date:2021-07-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder.
Proc.Natl.Acad.Sci.USA, 119, 2022
4ZWJ
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BU of 4zwj by Molmil
Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser
Descriptor: Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin
Authors:Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR)
Deposit date:2015-05-19
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.302 Å)
Cite:Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
4X31
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BU of 4x31 by Molmil
Room temperature structure of bacteriorhodopsin from lipidic cubic phase obtained with serial millisecond crystallography using synchrotron radiation
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Nogly, P, James, D, Wang, D, White, T, Zatsepin, N, Shilova, A, Nelson, G, Liu, H, Johansson, L, Heymann, M, Jaeger, K, Metz, M, Wickstrand, C, Wu, W, Baath, P, Berntsen, P, Oberthuer, D, Panneels, V, Cherezov, V, Chapman, H, Spence, J, Schertler, G, Neutze, R, Moraes, I, Burghammer, M, Standfuss, J, Weierstall, U.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lipidic cubic phase serial millisecond crystallography using synchrotron radiation.
Iucrj, 2, 2015
6H67
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BU of 6h67 by Molmil
Yeast RNA polymerase I elongation complex stalled by cyclobutane pyrimidine dimer (CPD)
Descriptor: DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ...
Authors:Sanz-Murillo, M, Xu, J, Gil-Carton, D, Wang, D, Fernandez-Tornero, C.
Deposit date:2018-07-26
Release date:2018-08-29
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of RNA polymerase I stalling at UV light-induced DNA damage.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6H68
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BU of 6h68 by Molmil
Yeast RNA polymerase I elongation complex stalled by cyclobutane pyrimidine dimer (CPD) with fully-ordered A49
Descriptor: DNA-directed RNA polymerase I subunit RPA12, DNA-directed RNA polymerase I subunit RPA135, DNA-directed RNA polymerase I subunit RPA14, ...
Authors:Sanz-Murillo, M, Xu, J, Gil-Carton, D, Wang, D, Fernandez-Tornero, C.
Deposit date:2018-07-26
Release date:2018-08-29
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural basis of RNA polymerase I stalling at UV light-induced DNA damage.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4YAY
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BU of 4yay by Molmil
XFEL structure of human Angiotensin Receptor
Descriptor: 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one, Soluble cytochrome b562,Type-1 angiotensin II receptor
Authors:Zhang, H, Unal, H, Gati, C, Han, G.W, Zatsepin, N.A, James, D, Wang, D, Nelson, G, Weierstall, U, Messerschmidt, M, Williams, G.J, Boutet, S, Yefanov, O.M, White, T.A, Liu, W, Ishchenko, A, Tirupula, K.C, Desnoyer, R, Sawaya, M.C, Xu, Q, Coe, J, Cornrad, C.E, Fromme, P, Stevens, R.C, Katritch, V, Karnik, S.S, Cherezov, V, GPCR Network (GPCR)
Deposit date:2015-02-18
Release date:2015-04-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Angiotensin receptor revealed by serial femtosecond crystallography.
Cell, 161, 2015
8EG6
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BU of 8eg6 by Molmil
huCaspase-6 in complex with inhibitor 2a
Descriptor: (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R.
Deposit date:2022-09-11
Release date:2023-05-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
8EG5
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BU of 8eg5 by Molmil
huCaspase-6 in complex with inhibitor 3a
Descriptor: (3R,5S)-1-(ethanesulfonyl)-5-phenyl-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide (bound form), 1,2-ETHANEDIOL, Caspase-6 subunit p11, ...
Authors:Zhao, Y, Fan, P, Liu, J, Wang, Y, Van Horn, K, Wang, D, Medina-Cleghorn, D, Lee, P, Bryant, C, Altobelli, C, Jaishankar, P, Ng, R.A, Ambrose, A.J, Tang, Y, Arkin, M.R, Renslo, A.R.
Deposit date:2022-09-11
Release date:2023-05-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Engaging a Non-catalytic Cysteine Residue Drives Potent and Selective Inhibition of Caspase-6.
J.Am.Chem.Soc., 145, 2023
4RWA
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BU of 4rwa by Molmil
Synchrotron structure of the human delta opioid receptor in complex with a bifunctional peptide (PSI community target)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Soluble cytochrome b562,Delta-type opioid receptor, bifunctional peptide
Authors:Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2014-12-01
Release date:2015-01-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4RWD
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BU of 4rwd by Molmil
XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ...
Authors:Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2014-12-02
Release date:2015-01-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
4RVY
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BU of 4rvy by Molmil
Serial Time resolved crystallography of Photosystem II using a femtosecond X-ray laser. The S state after two flashes (S3)
Descriptor: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
Authors:Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.-H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P.
Deposit date:2014-11-29
Release date:2015-11-04
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (5.5 Å)
Cite:Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser.
Nature, 513, 2014
4Y7N
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BU of 4y7n by Molmil
The Structure Insight into 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation.
Descriptor: DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Wang, L, Chong, J, Wang, D.
Deposit date:2015-02-15
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
4Y52
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BU of 4y52 by Molmil
Crystal structure of 5-Carboxycytosine Recognition by RNA Polymerase II during Transcription Elongation.
Descriptor: DNA (29-MER), DNA (5'-D(*CP*TP*GP*CP*TP*TP*AP*TP*CP*GP*GP*TP*AP*G)-3'), DNA-directed RNA polymerase II subunit RPB1, ...
Authors:Wang, L, Chong, J, Wang, D.
Deposit date:2015-02-11
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Molecular basis for 5-carboxycytosine recognition by RNA polymerase II elongation complex.
Nature, 523, 2015
6L2N
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BU of 6l2n by Molmil
Crystal structure of the R.PabI(Y68F-K154A)-dsDNA(GTAC-3bp-GTAC) complex
Descriptor: DNA (5'-D(*TP*CP*AP*GP*CP*AP*GP*TP*AP*CP*TP*AP*AP*GP*TP*AP*CP*TP*GP*CP*TP*GP*A)-3'), RE_R_Pab1 domain-containing protein
Authors:Miyazono, K, Wang, D, Ito, T, Tanokura, M.
Deposit date:2019-10-05
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Distortion of double-stranded DNA structure by the binding of the restriction DNA glycosylase R.PabI.
Nucleic Acids Res., 48, 2020
6L2O
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BU of 6l2o by Molmil
Crystal structure of the R.PabI(Y68F-K154A)-dsDNA(GTAC-5bp-GTAC) complex
Descriptor: DNA (5'-D(*CP*A*GP*CP*AP*GP*TP*AP*CP*TP*TP*AP*AP*AP*GP*TP*AP*CP*TP*GP*CP*TP*G)-3'), RE_R_Pab1 domain-containing protein
Authors:Miyazono, K, Wang, D, Ito, T, Tanokura, M.
Deposit date:2019-10-05
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Distortion of double-stranded DNA structure by the binding of the restriction DNA glycosylase R.PabI.
Nucleic Acids Res., 48, 2020
8DH4
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BU of 8dh4 by Molmil
T7 RNA polymerase elongation complex with unnatural base dPa-DsTP pair
Descriptor: (7P)-3-{5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-7-(thiophen-2-yl)-3H-imidazo[4,5-b]pyridine, MAGNESIUM ION, Non-template strand DNA, ...
Authors:Oh, J, Wang, D.
Deposit date:2022-06-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH1
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BU of 8dh1 by Molmil
T7 RNA polymerase elongation complex with unnatural base dDs-PaTP pair
Descriptor: 1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-ribofuranosyl}-1H-pyrrole-2-carbaldehyde, GLYCEROL, MAGNESIUM ION, ...
Authors:Oh, J, Wang, D.
Deposit date:2022-06-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH3
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BU of 8dh3 by Molmil
T7 RNA polymerase elongation complex with unnatural base dPa
Descriptor: Non-template strand DNA, RNA, T7 RNA polymerase, ...
Authors:Oh, J, Wang, D.
Deposit date:2022-06-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH0
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BU of 8dh0 by Molmil
T7 RNA polymerase elongation complex with unnatural base dDs
Descriptor: GLYCEROL, Non-template strand DNA, RNA, ...
Authors:Oh, J, Wang, D.
Deposit date:2022-06-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH5
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BU of 8dh5 by Molmil
T7 RNA polymerase elongation complex with unnatural base dPa-ATP mismatch
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Non-template strand DNA, ...
Authors:Oh, J, Wang, D.
Deposit date:2022-06-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
8DH2
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BU of 8dh2 by Molmil
T7 RNA polymerase elongation complex with unnatural base dDs-ATP mismatch
Descriptor: GLYCEROL, MAGNESIUM ION, Non-template strand DNA, ...
Authors:Oh, J, Wang, D.
Deposit date:2022-06-24
Release date:2023-02-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of transcription recognition of a hydrophobic unnatural base pair by T7 RNA polymerase.
Nat Commun, 14, 2023
3R22
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BU of 3r22 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
Descriptor: N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
Authors:Zhang, L, Fan, J, Chong, J.-H, Cesana, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
Deposit date:2011-03-11
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
3R21
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BU of 3r21 by Molmil
Design, synthesis, and biological evaluation of pyrazolopyridine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (Part I)
Descriptor: MAGNESIUM ION, N-(2-aminoethyl)-N-{5-[(1-cycloheptyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino]pyridin-2-yl}methanesulfonamide, Serine/threonine-protein kinase 6
Authors:Zhang, L, Fan, J, Chong, J.-H, Cesena, A, Tam, B, Gilson, C, Boykin, C, Wang, D, Marcotte, D, Le Brazidec, J.-Y, Aivazian, D, Piao, J, Lundgren, K, Hong, K, Vu, K, Nguyen, K.
Deposit date:2011-03-11
Release date:2011-08-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Design, synthesis, and biological evaluation of pyrazolopyrimidine-sulfonamides as potent multiple-mitotic kinase (MMK) inhibitors (part I).
Bioorg.Med.Chem.Lett., 21, 2011
4DIU
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BU of 4diu by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR94
Descriptor: Engineered Protein PF00326
Authors:Seetharaman, J, Lew, S, Wang, D, Kohan, E, Patel, D, Whitehead, T, Fleishman, S, Ciccosanti, C, Xiao, R, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-01-31
Release date:2012-04-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium Target OR94
To be Published

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