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4JWF
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BU of 4jwf by Molmil
Crystal structure of spTrm10(74)-SAH complex
Descriptor: ACETIC ACID, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine(9)-N1)-methyltransferase
Authors:Yan, W, Shao, Z.
Deposit date:2013-03-27
Release date:2013-10-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
9E9H
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BU of 9e9h by Molmil
Crystal structure of human KRAS G12C covalently bound to DEL triazine compound 5
Descriptor: (3S)-N,5-dimethyl-3-({4-[3-(morpholin-4-yl)phenyl]-6-(2-propanoyl-2,6-diazaspiro[3.4]octan-6-yl)-1,3,5-triazin-2-yl}amino)hexanamide, CALCIUM ION, GTPase KRas, ...
Authors:Mohr, C.
Deposit date:2024-11-08
Release date:2025-02-26
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Identification of Structurally Novel KRAS G12C Inhibitors through Covalent DNA-Encoded Library Screening.
J.Med.Chem., 68, 2025
9E9I
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BU of 9e9i by Molmil
Crystal Structure of human KRAS G12C covalently bound to nopinone-derived naphthol compound 21
Descriptor: 1,2-ETHANEDIOL, 1-{6-[(4P,6R,8R)-3-fluoro-4-(3-hydroxynaphthalen-1-yl)-7,7-dimethyl-5,6,7,8-tetrahydro-6,8-methanoquinolin-2-yl]-2,6-diazaspiro[3.4]octan-2-yl}propan-1-one, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Mohr, C.
Deposit date:2024-11-08
Release date:2025-02-26
Last modified:2025-03-05
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Identification of Structurally Novel KRAS G12C Inhibitors through Covalent DNA-Encoded Library Screening.
J.Med.Chem., 68, 2025
8GU7
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BU of 8gu7 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
Descriptor: Beclin 1-associated autophagy-related key regulator, Beclin-2
Authors:Qiu, X, Zhao, Y.
Deposit date:2022-09-11
Release date:2023-07-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
8GT9
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BU of 8gt9 by Molmil
Selective targeting of the Beclin 2-Atg14L coiled coil complex by stapled peptides promotes autophagy and endolysosomal trafficking of GPCRs
Descriptor: Beclin-2
Authors:Qiu, X, Zhao, Y.
Deposit date:2022-09-07
Release date:2023-07-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:The potent BECN2-ATG14 coiled-coil interaction is selectively critical for endolysosomal degradation of GPRASP1/GASP1-associated GPCRs.
Autophagy, 19, 2023
2QJO
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BU of 2qjo by Molmil
crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase (NadM) complexed with ADPRP and NAD from Synechocystis sp.
Descriptor: ADENOSINE-5-DIPHOSPHORIBOSE, Bifunctional NMN adenylyltransferase/Nudix hydrolase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Huang, N, Sorci, L, Zhang, X, Brautigan, C, Raffaelli, N, Magni, G, Grishin, N.V, Osterman, A, Zhang, H.
Deposit date:2007-07-08
Release date:2008-03-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism.
Structure, 16, 2008
6VII
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BU of 6vii by Molmil
Crystal structure of mouse RABL3 in complex with GTPgammaS
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rab-like protein 3
Authors:Su, L, Tomchick, D.R, Beutler, B.
Deposit date:2020-01-13
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
5VFC
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BU of 5vfc by Molmil
WDR5 bound to inhibitor MM-589
Descriptor: 1,2-ETHANEDIOL, N-{(3R,6S,9S,12R)-6-ethyl-12-methyl-9-[3-(N'-methylcarbamimidamido)propyl]-2,5,8,11-tetraoxo-3-phenyl-1,4,7,10-tetraazacyclotetradecan-12-yl}-2-methylpropanamide, SULFATE ION, ...
Authors:Stuckey, J.A.
Deposit date:2017-04-07
Release date:2017-06-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J. Med. Chem., 60, 2017
8WB4
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BU of 8wb4 by Molmil
Structure of PSII-ACPII supercomplex from cryptophyte algae
Descriptor: (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E})-3,7,12,16-tetramethyl-18-[(4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-3,5,7,9,11,13,15-heptaen-1,17-diynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, (1~{R})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaen-1-ynyl]cyclohex-3-en-1-ol, ...
Authors:Li, X.Y, Mao, Z.Y, Shen, J.R, Han, G.Y.
Deposit date:2023-09-08
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.47 Å)
Cite:Structure and distinct supramolecular organization of a PSII-ACPII dimer from a cryptophyte alga Chroomonas placoidea.
Nat Commun, 15, 2024
6VIH
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BU of 6vih by Molmil
The ligand-free structure of mouse RABL3
Descriptor: Rab-like protein 3
Authors:Su, L, Tomchick, D.R, Beutler, B.
Deposit date:2020-01-13
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.993 Å)
Cite:Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
6IMJ
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BU of 6imj by Molmil
The crystal structure of Se-AsfvLIG:DNA complex
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CADMIUM ION, CHLORIDE ION, ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.554 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
4JWH
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BU of 4jwh by Molmil
Crystal structure of spTrm10(Full length)-SAH complex
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine(9)-N1)-methyltransferase
Authors:Yan, W, Shao, Z.
Deposit date:2013-03-27
Release date:2013-10-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
5UOO
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BU of 5uoo by Molmil
BRD4 bromodomain 2 in complex with CD161
Descriptor: 7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indole, Bromodomain-containing protein 4
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2017-02-01
Release date:2017-05-17
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-Based Discovery of 4-(6-Methoxy-2-methyl-4-(quinolin-4-yl)-9H-pyrimido[4,5-b]indol-7-yl)-3,5-dimethylisoxazole (CD161) as a Potent and Orally Bioavailable BET Bromodomain Inhibitor.
J. Med. Chem., 60, 2017
6IMN
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BU of 6imn by Molmil
The crystal structure of AsfvLIG:CT2 complex
Descriptor: CHLORIDE ION, DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*TP*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
6VIK
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BU of 6vik by Molmil
Crystal structure of mouse xm RABL3 in complex with GTPgammsS
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rab-like protein 3
Authors:Su, L, Tomchick, D.R, Beutler, B.
Deposit date:2020-01-13
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
8I87
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BU of 8i87 by Molmil
Cryo-EM structure of TIR-APAZ/Ago-gRNA-DNA complex
Descriptor: DNA (5'-D(P*TP*AP*TP*AP*CP*AP*AP*CP*CP*TP*AP*CP*TP*AP*CP*CP*TP*CP*A)-3'), MAGNESIUM ION, Piwi domain-containing protein, ...
Authors:Zhang, H, Deng, Z.Q, Yu, G.M, Li, X.Z, Wang, X.S.
Deposit date:2023-02-03
Release date:2023-07-19
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into mechanisms of Argonaute protein-associated NADase activation in bacterial immunity.
Cell Res., 33, 2023
6VIJ
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BU of 6vij by Molmil
Crystal structure of mouse RABL3 in complex with GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Rab-like protein 3
Authors:Su, L, Tomchick, D.R, Beutler, B.
Deposit date:2020-01-13
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Genetic and structural studies of RABL3 reveal an essential role in lymphoid development and function.
Proc.Natl.Acad.Sci.USA, 117, 2020
2QJT
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BU of 2qjt by Molmil
Crystal structure of a bifunctional NMN adenylyltransferase/ADP ribose pyrophosphatase complexed with AMP and MN ion from Francisella tularensis
Descriptor: ADENOSINE MONOPHOSPHATE, MANGANESE (II) ION, Nicotinamide-nucleotide adenylyltransferase
Authors:Huang, N, Sorci, L, Zhang, X, Brautigan, C, Raffaelli, N, Magni, G, Grishin, N.V, Osterman, A, Zhang, H.
Deposit date:2007-07-09
Release date:2008-03-04
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Bifunctional NMN Adenylyltransferase/ADP-Ribose Pyrophosphatase: Structure and Function in Bacterial NAD Metabolism.
Structure, 16, 2008
6IML
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BU of 6iml by Molmil
The crystal structure of AsfvLIG:CT1 complex
Descriptor: DNA (5'-D(*CP*CP*AP*GP*TP*CP*CP*GP*AP*CP*CP*CP*GP*CP*AP*TP*CP*CP*CP*GP*GP*A)-3'), DNA (5'-D(*TP*CP*CP*GP*GP*GP*AP*TP*GP*CP*GP*T)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*CP*TP*GP*G)-3'), ...
Authors:Chen, Y.Q, Gan, J.H.
Deposit date:2018-10-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structure of the error-prone DNA ligase of African swine fever virus identifies critical active site residues.
Nat Commun, 10, 2019
4JR6
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BU of 4jr6 by Molmil
Crystal structure of DsbA from Mycobacterium tuberculosis (reduced)
Descriptor: Possible conserved membrane or secreted protein, SULFATE ION
Authors:Wang, L.
Deposit date:2013-03-21
Release date:2013-07-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Structure analysis of the extracellular domain reveals disulfide bond forming-protein properties of Mycobacterium tuberculosis Rv2969c.
Protein Cell, 4, 2013
2Q13
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BU of 2q13 by Molmil
Crystal structure of BAR-PH domain of APPL1
Descriptor: DCC-interacting protein 13 alpha
Authors:Zhu, G, Zhang, X.C.
Deposit date:2007-05-23
Release date:2007-08-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of the APPL1 BAR-PH domain and characterization of its interaction with Rab5.
Embo J., 26, 2007
4JWJ
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BU of 4jwj by Molmil
Crystal structure of scTrm10(84)-SAH complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Yan, W, Shao, Z.
Deposit date:2013-03-27
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
4JR4
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BU of 4jr4 by Molmil
Crystal structure of Mtb DsbA (Oxidized)
Descriptor: Possible conserved membrane or secreted protein, SULFATE ION
Authors:Wang, L.
Deposit date:2013-03-21
Release date:2013-07-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.498 Å)
Cite:Structure analysis of the extracellular domain reveals disulfide bond forming-protein properties of Mycobacterium tuberculosis Rv2969c.
Protein Cell, 4, 2013
4JWG
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BU of 4jwg by Molmil
Crystal structure of spTrm10(74)
Descriptor: ACETIC ACID, tRNA (guanine(9)-N1)-methyltransferase
Authors:Yan, W, Shao, Z.
Deposit date:2013-03-27
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of tRNA m1G9 methyltransferase Trm10: insight into the catalytic mechanism and recognition of tRNA substrate.
Nucleic Acids Res., 42, 2014
8IZE
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BU of 8ize by Molmil
Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with 4-HMBPP
Descriptor: Butyrophilin subfamily 3 member A1, DI(HYDROXYETHYL)ETHER, [(E)-3-(hydroxymethyl)pent-2-enyl] phosphono hydrogen phosphate
Authors:Yang, Y.Y, Yi, S.M, Huang, J.W, Chen, C.C, Guo, R.T.
Deposit date:2023-04-07
Release date:2023-09-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Phosphoantigens glue butyrophilin 3A1 and 2A1 to activate V gamma 9V delta 2 T cells.
Nature, 621, 2023

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