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1KIS
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BU of 1kis by Molmil
TAR-TAR "KISSING" HAIRPIN COMPLEX DERIVED FROM THE HIV GENOME, NMR, 1 STRUCTURE
Descriptor: RNA (5'-R(*GP*AP*GP*CP*CP*CP*UP*GP*GP*GP*AP*GP*GP*CP*UP*C)-3'), RNA (5'-R(*GP*CP*UP*GP*UP*UP*CP*CP*CP*AP*GP*AP*CP*AP*GP*C)-3')
Authors:Chang, K.Y, Tinoco Jr, I.
Deposit date:1997-06-11
Release date:1997-10-15
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:The structure of an RNA "kissing" hairpin complex of the HIV TAR hairpin loop and its complement.
J.Mol.Biol., 269, 1997
4URD
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BU of 4urd by Molmil
Cryo-EM map of Trigger Factor bound to a translating ribosome
Descriptor: TRIGGER FACTOR
Authors:Deeng, J, Chan, K.Y, van der Sluis, E, Bischoff, L, Berninghausen, O, Han, W, Gumbart, J, Schulten, K, Beatrix, B, Beckmann, R.
Deposit date:2014-06-27
Release date:2016-01-13
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (7.7 Å)
Cite:Dynamic Behavior of Trigger Factor on the Ribosome.
J.Mol.Biol., 428, 2016
4V6V
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BU of 4v6v by Molmil
Tetracycline resistance protein Tet(O) bound to the ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Li, W, Atkinson, G.C, Thakor, N.S, Allas, U, Lu, C, Chan, K.Y, Tenson, T, Schulten, K, Wilson, K.S, Hauryliuk, V, Frank, J.
Deposit date:2013-02-25
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (9.8 Å)
Cite:Mechanism of tetracycline resistance by ribosomal protection protein Tet(O).
Nat Commun, 4, 2013
7RSJ
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BU of 7rsj by Molmil
Structure of the VPS34 kinase domain with compound 14
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.881 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSP
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BU of 7rsp by Molmil
Structure of the VPS34 kinase domain with compound 14
Descriptor: (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
7RSV
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BU of 7rsv by Molmil
Structure of the VPS34 kinase domain with compound 5
Descriptor: (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ...
Authors:Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M.
Deposit date:2021-08-11
Release date:2021-11-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
3J1F
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BU of 3j1f by Molmil
Cryo-EM structure of 9-fold symmetric rATcpn-beta in ATP-binding state
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Chaperonin beta subunit, MAGNESIUM ION
Authors:Zhang, K, Wang, L, Liu, Y.X, Wang, X, Gao, B, Hu, Z.J, Ji, G, Chan, K.Y, Schulten, K, Dong, Z.Y, Sun, F.
Deposit date:2012-02-06
Release date:2013-08-07
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Flexible interwoven termini determine the thermal stability of thermosomes.
Protein Cell, 4, 2013
3J1E
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BU of 3j1e by Molmil
Cryo-EM structure of 9-fold symmetric rATcpn-beta in apo state
Descriptor: Chaperonin beta subunit
Authors:Zhang, K, Wang, L, Liu, Y.X, Wang, X, Gao, B, Hu, Z.J, Ji, G, Chan, K.Y, Schulten, K, Dong, Z.Y, Sun, F.
Deposit date:2012-02-06
Release date:2013-08-07
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (8.3 Å)
Cite:Flexible interwoven termini determine the thermal stability of thermosomes.
Protein Cell, 4, 2013
3J1B
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BU of 3j1b by Molmil
Cryo-EM structure of 8-fold symmetric rATcpn-alpha in apo state
Descriptor: Chaperonin alpha subunit
Authors:Zhang, K, Wang, L, Liu, Y.X, Wang, X, Gao, B, Hu, Z.J, Ji, G, Chan, K.Y, Schulten, K, Dong, Z.Y, Sun, F.
Deposit date:2012-02-06
Release date:2013-08-07
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Flexible interwoven termini determine the thermal stability of thermosomes.
Protein Cell, 4, 2013
3J1C
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BU of 3j1c by Molmil
Cryo-EM structure of 9-fold symmetric rATcpn-alpha in apo state
Descriptor: Chaperonin alpha subunit
Authors:Zhang, K, Wang, L, Liu, Y.X, Wang, X, Gao, B, Hu, Z.J, Ji, G, Chan, K.Y, Schulten, K, Dong, Z.Y, Sun, F.
Deposit date:2012-02-06
Release date:2013-08-07
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (9.1 Å)
Cite:Flexible interwoven termini determine the thermal stability of thermosomes.
Protein Cell, 4, 2013
7UEB
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BU of 7ueb by Molmil
Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO2)
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ...
Authors:Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L.
Deposit date:2022-03-21
Release date:2022-10-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Nat Commun, 13, 2022
7UEA
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BU of 7uea by Molmil
Photosynthetic assembly of Chlorobaculum tepidum (RC-FMO1)
Descriptor: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E,19E)-3,7,12,16,20,24-hexamethylpentacosa-1,3,5,7,9,11,13,15,17,19,23-undecaenyl]-1,3,4-trimethyl-benzene, ...
Authors:Puskar, R, Truong, C.D, Swain, K, Li, S, Cheng, K.-W, Wang, T.Y, Poh, Y.-P, Liu, H, Chou, T.-F, Nannenga, B, Chiu, P.-L.
Deposit date:2022-03-21
Release date:2022-10-05
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Molecular asymmetry of a photosynthetic supercomplex from green sulfur bacteria.
Nat Commun, 13, 2022
6VE5
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BU of 6ve5 by Molmil
X-ray structure of human REV7 in complex with Shieldin3 (residues 41-74)
Descriptor: Mitotic spindle assembly checkpoint protein MAD2B, SULFATE ION, Shieldin complex subunit 3
Authors:Cui, G, Botuyan, M.V, Mer, G.
Deposit date:2019-12-28
Release date:2021-01-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Cryo-EM reveals conformational flexibility in apo DNA polymerase zeta.
J.Biol.Chem., 297, 2021
7LXD
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BU of 7lxd by Molmil
Structure of yeast DNA Polymerase Zeta (apo)
Descriptor: DNA polymerase delta small subunit, DNA polymerase delta subunit 3, DNA polymerase zeta catalytic subunit, ...
Authors:Truong, C.D, Craig, T.A, Cui, G, Botuyan, M.V, Serkasevich, R.A, Chan, K.-Y, Mer, G, Chiu, P.-L, Kumar, R.
Deposit date:2021-03-03
Release date:2021-06-30
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.11 Å)
Cite:Cryo-EM reveals conformational flexibility in apo DNA polymerase zeta.
J.Biol.Chem., 297, 2021
7R9L
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BU of 7r9l by Molmil
Crystal structure of HPK1 in complex with compound 2
Descriptor: 2-amino-N,N-dimethyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzamide, Hematopoietic progenitor kinase
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2021-06-29
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.332 Å)
Cite:Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9P
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BU of 7r9p by Molmil
Crystal structure of HPK1 in complex with compound 14
Descriptor: 6-amino-2-fluoro-N,N-dimethyl-3-(4'-methylspiro[cyclopropane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl)benzamide, Hematopoietic progenitor kinase, SULFATE ION
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2021-06-29
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9T
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BU of 7r9t by Molmil
Crystal structure of HPK1 in complex with compound 17
Descriptor: 6-amino-3-[(1S,3R)-4'-chloro-3-hydroxy-1',2'-dihydrospiro[cyclopentane-1,3'-pyrrolo[2,3-b]pyridin]-5'-yl]-2-fluoro-N,N-dimethylbenzamide, Hematopoietic progenitor kinase
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2021-06-29
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
7R9N
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BU of 7r9n by Molmil
Crystal structure of HPK1 in complex with GNE1858
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Hematopoietic progenitor kinase, ...
Authors:Wu, P, Lehoux, I, Wang, W.
Deposit date:2021-06-29
Release date:2022-01-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Spiro-azaindoline Inhibitors of Hematopoietic Progenitor Kinase 1 (HPK1).
Acs Med.Chem.Lett., 13, 2022
6NO9
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BU of 6no9 by Molmil
PIM1 in complex with Cpd16 (5-amino-N-(5-((4R,5R)-4-amino-5-fluoroazepan-1-yl)-1-methyl-1H-pyrazol-4-yl)-2-(2,6-difluorophenyl)thiazole-4-carboxamide)
Descriptor: 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide, GLYCEROL, PHOSPHATE ION, ...
Authors:Murray, J.M, Noland, C.
Deposit date:2019-01-15
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.712 Å)
Cite:Optimization of Pan-Pim Kinase Activity and Oral Bioavailability Leading to Diaminopyrazole (GDC-0339) for the Treatment of Multiple Myeloma.
J. Med. Chem., 62, 2019
4JBO
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BU of 4jbo by Molmil
Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules
Descriptor: 1-(4-{2-[(6-{4-[2-(dimethylamino)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Aurora kinase A
Authors:Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y.
Deposit date:2013-02-20
Release date:2013-06-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JBQ
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BU of 4jbq by Molmil
Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules
Descriptor: Aurora Kinase A, CYCLOPROPANECARBOXYLIC ACID {4-[4-(4-METHYL-PIPERAZIN-1-YL)-6-(5-METHYL-2H-PYRAZOL-3-YLAMINO)-PYRIMIDIN-2-YLSULFANYL]-PHENYL}-AMIDE
Authors:Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y.
Deposit date:2013-02-20
Release date:2013-06-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JBP
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BU of 4jbp by Molmil
Novel Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules
Descriptor: 1-(4-{2-[(6-{4-[2-(4-hydroxypiperidin-1-yl)ethoxy]phenyl}furo[2,3-d]pyrimidin-4-yl)amino]ethyl}phenyl)-3-phenylurea, Aurora Kinase A
Authors:Wu, J.S, Leou, J.S, Peng, Y.H, Hsueh, C.C, Hsieh, H.P, Wu, S.Y.
Deposit date:2013-02-20
Release date:2013-06-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Aurora kinase inhibitors reveal mechanisms of HURP in nucleation of centrosomal and kinetochore microtubules.
Proc.Natl.Acad.Sci.USA, 110, 2013

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