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6WJG
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BU of 6wjg by Molmil
PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar carcinoma
Descriptor: DnaJ homolog subfamily B member 1, cAMP-dependent protein kinase catalytic subunit alpha fusion, cAMP-dependent protein kinase type II-beta regulatory subunit
Authors:Lu, T.-W, Aoto, P.C, Weng, J.-H, Nielsen, C, Cash, J.N, Hall, J, Zhang, P, Simon, S.M, Cianfrocco, M.A, Taylor, S.S.
Deposit date:2020-04-13
Release date:2020-12-02
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6.2 Å)
Cite:Structural analyses of the PKA RII beta holoenzyme containing the oncogenic DnaJB1-PKAc fusion protein reveal protomer asymmetry and fusion-induced allosteric perturbations in fibrolamellar hepatocellular carcinoma.
Plos Biol., 18, 2020
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:2023-10-25
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
4XIZ
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BU of 4xiz by Molmil
Structure of a phospholipid trafficking complex with substrate
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, Mitochondrial distribution and morphology protein 35, Protein UPS1, ...
Authors:Yu, F, He, F, Wang, C, Zhang, P.
Deposit date:2015-01-08
Release date:2015-07-01
Last modified:2015-09-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of intramitochondrial phosphatidic acid transport mediated by Ups1-Mdm35 complex
Embo Rep., 16, 2015
4XOK
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BU of 4xok by Molmil
Observing the overall rocking motion of a protein in a crystal.
Descriptor: Ubiquitin, ZINC ION
Authors:Coquelle, N, Ma, P, Schanda, P, Colletier, J.P.
Deposit date:2015-01-16
Release date:2015-10-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Observing the overall rocking motion of a protein in a crystal.
Nat Commun, 6, 2015
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:2023-10-25
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
5UP4
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BU of 5up4 by Molmil
Structure of the HIV-1 Capsid Protein and spacer peptide 1 by Cryo-EM
Descriptor: HIV-1 Capsid Protein and spacer peptide 1
Authors:Perilla, J.R, Schirra, R, Zhang, P, Schulten, K.
Deposit date:2017-02-01
Release date:2017-12-06
Last modified:2017-12-13
Method:ELECTRON MICROSCOPY (9 Å)
Cite:Quenching protein dynamics interferes with HIV capsid maturation.
Nat Commun, 8, 2017
8FG7
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BU of 8fg7 by Molmil
Apo mouse acidic mammalian chitinase, catalytic domain at 277 K
Descriptor: Acidic mammalian chitinase, MAGNESIUM ION
Authors:Diaz, R.E, Asthana, P, Fraser, J.S.
Deposit date:2022-12-12
Release date:2023-03-01
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural characterization of ligand binding and pH-specific enzymatic activity of mouse Acidic Mammalian Chitinase.
Biorxiv, 2024
7TCZ
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BU of 7tcz by Molmil
Human cytomegalovirus protease mutant (C84A, C87A, C138A, C202A) in complex with inhibitor
Descriptor: Assemblin, [1-(2-oxopropyl)-4-phenyl-1H-1,2,3-triazol-5-yl]methyl benzylcarbamate
Authors:Hulce, K.R, Bohn, M, Ongpipattanakul, C, Jaishankar, P, Renslo, A.R, Craik, C.S.
Deposit date:2021-12-29
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Inhibiting a dynamic viral protease by targeting a non-catalytic cysteine.
Cell Chem Biol, 29, 2022
8FOR
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BU of 8for by Molmil
Crystal Structure of Kemp Eliminase KE70-core with bound transition state analogue
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp Eliminase KE70-core
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2023-01-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Kemp Eliminase KE70-core with bound transition state analogue
To Be Published
8FMC
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BU of 8fmc by Molmil
Crystal Structure of Kemp Eliminase 1A53-core in unbound state
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Kemp Eliminase 1A53-core, PHOSPHATE ION
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2022-12-23
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Crystal Structure of Kemp Eliminase 1A53-core in unbound state
To Be Published
8FMD
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BU of 8fmd by Molmil
Crystal Structure of Kemp Eliminase KE70-core in unbound state
Descriptor: Kemp Eliminase KE70-core
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2022-12-23
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Kemp Eliminase KE70-core in unbound state
To Be Published
8FOQ
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BU of 8foq by Molmil
Crystal Structure of Kemp Eliminase 1A53-core with bound transition state analogue
Descriptor: 5-nitro-1H-benzotriazole, Kemp Eliminase 1A53-core, PHOSPHATE ION
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2023-01-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Kemp Eliminase 1A53-core with bound transition state analogue
To Be Published
8FME
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BU of 8fme by Molmil
Crystal Structure of Kemp Eliminase HG3-shell in unbound state
Descriptor: Kemp Eliminase HG3-shell
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2022-12-23
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal Structure of Kemp Eliminase 1A53-core in unbound state
To Be Published
8FOS
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BU of 8fos by Molmil
Crystal Structure of Kemp Eliminase HG3-shell with bound transition state analogue
Descriptor: 6-NITROBENZOTRIAZOLE, Kemp Eliminase HG3-shell, TETRAETHYLENE GLYCOL
Authors:Zarifi, N, Asthana, P, Fraser, J.S, Chica, R.A.
Deposit date:2023-01-03
Release date:2024-01-10
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of Kemp Eliminase HG3-shell with bound transition state analogue
To Be Published
1LQG
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BU of 1lqg by Molmil
ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE COMPLEX WITH URACIL-DNA GLYCOSYLASE INHIBITOR PROTEIN
Descriptor: URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR
Authors:Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Handa, P, Varshney, U, Vijayan, M.
Deposit date:2002-05-10
Release date:2002-11-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG.
Acta Crystallogr.,Sect.D, 58, 2002
3J34
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BU of 3j34 by Molmil
Structure of HIV-1 Capsid Protein by Cryo-EM
Descriptor: capsid protein
Authors:Zhao, G, Perilla, J.R, Yufenyuy, E, Meng, X, Chen, B, Ning, J, Ahn, J, Gronenborn, A.M, Schulten, K, Aiken, C, Zhang, P.
Deposit date:2013-02-23
Release date:2013-05-29
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (8.6 Å)
Cite:Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
5UOT
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BU of 5uot by Molmil
CryoEM structure of the helical assembly of full length MxB
Descriptor: Interferon-induced GTP-binding protein Mx2
Authors:Perilla, J.R, Alvarez, F.J.D, Zhang, P, Schulten, K.
Deposit date:2017-02-01
Release date:2018-02-21
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:CryoEM structure of MxB reveals a novel oligomerization interface critical for HIV restriction.
Sci Adv, 3, 2017
3NFF
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BU of 3nff by Molmil
Crystal structure of extended Dimerization module of RNA polymerase I subcomplex A49/A34.5
Descriptor: RNA polymerase I subunit A34.5, RNA polymerase I subunit A49
Authors:Geiger, S.R, Lorenzen, K, Schreieck, A, Hanecker, P, Kostrewa, D, Heck, A.J.R, Cramer, P.
Deposit date:2010-06-10
Release date:2010-09-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:RNA Polymerase I Contains a TFIIF-Related DNA-Binding Subcomplex.
Mol.Cell, 39, 2010
3NFH
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BU of 3nfh by Molmil
Crystal structure of tandem winged helix domain of RNA polymerase I subunit A49 (P4)
Descriptor: DNA-directed RNA polymerase I subunit RPA49
Authors:Geiger, S.R, Lorenzen, K, Schreieck, A, Hanecker, P, Kostrewa, D, Heck, A.J.R, Cramer, P.
Deposit date:2010-06-10
Release date:2010-09-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:RNA Polymerase I Contains a TFIIF-Related DNA-Binding Subcomplex.
Mol.Cell, 39, 2010
3NFI
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BU of 3nfi by Molmil
Crystal structure of tandem winged helix domain of RNA polymerase I subunit A49
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DNA-directed RNA polymerase I subunit RPA49
Authors:Geiger, S.R, Lorenzen, K, Schreieck, A, Hanecker, P, Kostrewa, D, Heck, A.J.R, Cramer, P.
Deposit date:2010-06-10
Release date:2010-09-08
Last modified:2015-03-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:RNA Polymerase I Contains a TFIIF-Related DNA-Binding Subcomplex.
Mol.Cell, 39, 2010
3H4M
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BU of 3h4m by Molmil
AAA ATPase domain of the proteasome- activating nucleotidase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Proteasome-activating nucleotidase
Authors:Jeffrey, P, Zhang, F, Hu, M, Tian, G, Zhang, P, Finley, D, Shi, Y.
Deposit date:2009-04-20
Release date:2009-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.106 Å)
Cite:Structural Insights into the Regulatory Particle of the Proteasome from Methanocaldococcus jannaschii.
Mol.Cell, 34, 2009
7BZB
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BU of 7bzb by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18
Descriptor: MAGNESIUM ION, PYROPHOSPHATE, Terpenoid synthase 18
Authors:Li, J.X, Wang, G.D, Zhang, P.
Deposit date:2020-04-27
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
7BZC
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BU of 7bzc by Molmil
Crystal structure of plant sesterterpene synthase AtTPS18 complexed with farnesyl thiolodiphosphate (FSPP)
Descriptor: MAGNESIUM ION, S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE, Terpenoid synthase 18
Authors:Li, J.X, Wang, G.D, Zhang, P.
Deposit date:2020-04-27
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Molecular Basis for Sesterterpene Diversity Produced by Plant Terpene Synthases.
Plant Commun., 1, 2020
6WY3
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BU of 6wy3 by Molmil
Crystal structure of RNA-10mer: CCGG(N4,N4-dimethyl-C)GCCGG; P212121 form
Descriptor: RNA (5'-R(*CP*CP*GP*GP*(LV2)P*GP*CP*CP*GP*G)-3')
Authors:Sekula, B, Ruszkowski, M, Mao, S, Haruehanroengra, P, Sheng, J.
Deposit date:2020-05-12
Release date:2020-09-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.647 Å)
Cite:Base pairing, structural and functional insights into N4-methylcytidine (m4C) and N4,N4-dimethylcytidine (m42C) modified RNA.
Nucleic Acids Res., 48, 2020
7BHS
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BU of 7bhs by Molmil
Crystal structure of MAT2a with quinazoline fragment 2 bound in the allosteric site
Descriptor: 6-chloranyl-2-methoxy-4-phenyl-quinazoline, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2
Authors:Schimpl, M, De Fusco, C, Borjesson, U, Cheung, T, Collie, I, Evans, L, Narasimhan, P, Stubbs, C, Vazquez-Chantada, M, Wagner, D.J, Grondine, M, Tentarelli, S, Underwood, E, Argyrou, A, Bagal, S, Chiarparin, E, Robb, G, Scott, J.S.
Deposit date:2021-01-11
Release date:2021-04-21
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Fragment-Based Design of a Potent MAT2a Inhibitor and in Vivo Evaluation in an MTAP Null Xenograft Model.
J.Med.Chem., 64, 2021

224201

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