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7VZG
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BU of 7vzg by Molmil
Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c (the larger form)
Descriptor: BACTERIOCHLOROPHYLL A, CALCIUM ION, CHLOROPHYLL A, ...
Authors:Huang, G.Q, Dong, S.S, Qin, X.C, Sui, S.F.
Deposit date:2021-11-16
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (2.61 Å)
Cite:Structure of the Acidobacteria homodimeric reaction center bound with cytochrome c.
Nat Commun, 13, 2022
3E88
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BU of 3e88 by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
Descriptor: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-10-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8C
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BU of 3e8c by Molmil
Crystal structures of the kinase domain of PKA in complex with ATP-competitive inhibitors
Descriptor: 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor peptide
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-11-18
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E87
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BU of 3e87 by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
Descriptor: Glycogen synthase kinase-3 beta peptide, N-[(1S)-2-amino-1-phenylethyl]-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophene-2-carboxamide, RAC-beta serine/threonine-protein kinase
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-10-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
3E8D
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BU of 3e8d by Molmil
Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors
Descriptor: 4-[2-(4-amino-2,5-dihydro-1,2,5-oxadiazol-3-yl)-6-{[(1S)-3-amino-1-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, Glycogen synthase kinase-3 beta peptide, RAC-beta serine/threonine-protein kinase
Authors:Concha, N.O, Elkins, P.A, Smallwood, A, Ward, P.
Deposit date:2008-08-19
Release date:2008-10-14
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19, 2009
5YXI
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BU of 5yxi by Molmil
Designed protein dRafX6
Descriptor: Designed protein dRafX6
Authors:Liu, R.
Deposit date:2017-12-05
Release date:2018-12-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:De novo sequence redesign of a functional Ras-binding domain globally inverted the surface charge distribution and led to extreme thermostability.
Biotechnol.Bioeng., 118, 2021
5ZTY
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BU of 5zty by Molmil
Crystal structure of human G protein coupled receptor
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, X.T, Hua, T, Wu, L.J, Liu, Z.J.
Deposit date:2018-05-05
Release date:2019-01-30
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal Structure of the Human Cannabinoid Receptor CB2
Cell, 176, 2019
3TVM
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BU of 3tvm by Molmil
Structure of the mouse CD1d-SMC124-iNKT TCR complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Girardi, E, Li, Y, Zajonc, D.M.
Deposit date:2011-09-20
Release date:2012-02-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Glycolipids that Elicit IFN-gama-Biased Responses from Natural Killer T Cells
Chem.Biol., 18, 2011
7WB0
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BU of 7wb0 by Molmil
PlmCasX-sgRNAv1-dsDNA ternary complex at nts loading state with flexible H2 domain
Descriptor: NTS-DNA, RNA (115-MER), TS-DNA, ...
Authors:Zhang, S, Liu, J.J.G.
Deposit date:2021-12-15
Release date:2022-03-16
Last modified:2022-03-30
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
7WAZ
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BU of 7waz by Molmil
PlmCasX-sgRNAv1-dsDNA ternary complex at ts loading state
Descriptor: NTS-DNA, RNA (115-MER), TS-DNA, ...
Authors:Zhang, S, Liu, J.J.G.
Deposit date:2021-12-15
Release date:2022-03-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
7WAY
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BU of 7way by Molmil
PlmCasX-sgRNAv1-dsDNA ternary complex at nts loading state
Descriptor: DNA (27-MER), DNA (33-MER), RNA, ...
Authors:Zhang, S, Liu, J.J.G.
Deposit date:2021-12-15
Release date:2022-03-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
7WB1
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BU of 7wb1 by Molmil
PlmCasX-sgRNAv2-dsDNA ternary complex at nts loading state
Descriptor: NTS-DNA, RNA (121-MER), TS-DNA, ...
Authors:Zhang, S, Liu, J.J.G.
Deposit date:2021-12-15
Release date:2022-03-16
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Chimeric CRISPR-CasX enzymes and guide RNAs for improved genome editing activity.
Mol.Cell, 82, 2022
6A0Q
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BU of 6a0q by Molmil
The crystal structure of Lpg2622_E64 complex
Descriptor: Lpg2622, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE
Authors:Gong, X, Ge, H.
Deposit date:2018-06-06
Release date:2018-09-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila
FEBS Lett., 592, 2018
3S7V
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BU of 3s7v by Molmil
Unassembled KI Polyomavirus VP1 Pentamer
Descriptor: Major capsid protein VP1
Authors:Neu, U, Stehle, T.
Deposit date:2011-05-27
Release date:2011-06-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structures of the major capsid proteins of the human KI and WU polyomaviruses.
J.Virol., 85, 2011
3TA3
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BU of 3ta3 by Molmil
Structure of the mouse CD1d-Glc-DAG-s2-iNKT TCR complex
Descriptor: (2S)-1-(alpha-D-glucopyranosyloxy)-3-(hexadecanoyloxy)propan-2-yl (11Z)-octadec-11-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Girardi, E, Yu, E.D, Zajonc, D.M.
Deposit date:2011-08-03
Release date:2011-11-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Unique Interplay between Sugar and Lipid in Determining the Antigenic Potency of Bacterial Antigens for NKT Cells.
Plos Biol., 9, 2011
6A0N
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BU of 6a0n by Molmil
The crystal structure of apo-Lpg2622
Descriptor: Lpg2622
Authors:Gong, X, Ge, H.
Deposit date:2018-06-05
Release date:2018-09-12
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of the hypothetical protein Lpg2622, a new member of the C1 family peptidases from Legionella pneumophila
FEBS Lett., 592, 2018
3LM0
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BU of 3lm0 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Serine/threonine-protein kinase 17B, ...
Authors:Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-01-29
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:

6AGS
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BU of 6ags by Molmil
Structural insights for non-natural cofactor binding by the L310R/Q401C mutant of malic enzyme from Escherichia coli
Descriptor: NAD-dependent malic enzyme
Authors:Liu, Y.X, Liu, W.J, Ji, D.B, Zhao, K.
Deposit date:2018-08-13
Release date:2019-08-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Structural Insights into Malic Enzyme Variants Favoring an Unnatural Redox Cofactor.
Chembiochem, 22, 2021
3LM5
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BU of 3lm5 by Molmil
Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) in complex with Quercetin
Descriptor: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Serine/threonine-protein kinase 17B
Authors:Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, Carpenter, L, Vollmar, M, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2010-01-29
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation.
J.Med.Chem., 63, 2020
8U1Z
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BU of 8u1z by Molmil
Crystal structure of the Fis1 cytosolic domain bound to a peptide inhibitor
Descriptor: Mitochondrial fission 1 protein, inhibitor peptide
Authors:Nolden, K.A, Peterson, F.C, Hill, R.B.
Deposit date:2023-09-04
Release date:2024-09-04
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel Fis1 inhibiting peptide reverses microvascular endothelial dysfunction in vessels from humans with type 2 diabetes
To Be Published
8VC8
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BU of 8vc8 by Molmil
Crystal structure of heme-loaded design: HEM_3.C9
Descriptor: HEM_3.C9, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Kalvet, I, Bera, A.K, Baker, D.
Deposit date:2023-12-13
Release date:2024-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Generalized biomolecular modeling and design with RoseTTAFold All-Atom.
Science, 384, 2024
6BBO
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BU of 6bbo by Molmil
Crystal structure of human APOBEC3H/RNA complex
Descriptor: APOBEC3H, GLYCEROL, MCherry fluorescent protein, ...
Authors:Shaban, N.M, Shi, K, Banerjee, S, Harris, R.S, Aihara, H.
Deposit date:2017-10-19
Release date:2018-01-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.428 Å)
Cite:The Antiviral and Cancer Genomic DNA Deaminase APOBEC3H Is Regulated by an RNA-Mediated Dimerization Mechanism.
Mol. Cell, 69, 2018
5T0K
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BU of 5t0k by Molmil
Structure of G9a SET-domain with H3K9M mutant peptide and SAM
Descriptor: H3K9 mutant peptide, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
Authors:Xu, K, Tong, L.
Deposit date:2016-08-16
Release date:2016-10-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
5T0M
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BU of 5t0m by Molmil
A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading
Descriptor: Histone-lysine N-methyltransferase EHMT2, S-ADENOSYL-L-HOMOCYSTEINE, S-ADENOSYLMETHIONINE, ...
Authors:Xu, K, Tong, L.
Deposit date:2016-08-16
Release date:2016-10-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.896 Å)
Cite:A histone H3K9M mutation traps histone methyltransferase Clr4 to prevent heterochromatin spreading.
Elife, 5, 2016
2K3K
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BU of 2k3k by Molmil
Solution structure of Drosophila melanogaster SNF RBD1
Descriptor: U1 small nuclear ribonucleoprotein A
Authors:Liu, C, Cui, G, Hu, J, Jin, C, Xia, B.
Deposit date:2008-05-12
Release date:2008-06-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Structural and Functional Studies of RNA Splicing Factor Sans-Fille by Multidimentional NMR Spectroscopy
To be Published

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PDB entries from 2024-09-11

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