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2I87
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BU of 2i87 by Molmil
Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies
Descriptor: D-alanine-D-alanine ligase, SULFATE ION
Authors:Liu, S, Chang, J.S, Herberg, J.T, Horng, M, Tomich, P.K, Lin, A.H, Marotti, K.R.
Deposit date:2006-09-01
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2DVE
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BU of 2dve by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3 in Complex with Biotinyl-5'-AMP, Mutation Arg51Ala
Descriptor: BIOTINYL-5-AMP, Biotin Protein Ligase
Authors:Bagautdinov, B, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-07-31
Release date:2007-01-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ligand Structures of Biotin Protein Ligase From Pyrococcus Horikoshii OT3
To be Published
4QBJ
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BU of 4qbj by Molmil
Crystal structure of N-myristoyl transferase from Aspergillus fumigatus complexed with a synthetic inhibitor
Descriptor: 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine, Glycylpeptide N-tetradecanoyltransferase, S-(2-OXO)PENTADECYLCOA, ...
Authors:Suzuki, M, Shimada, T.
Deposit date:2014-05-08
Release date:2015-04-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of N-myristoyltransferase from Aspergillus fumigatus
Acta Crystallogr.,Sect.D, 71, 2015
2KXM
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BU of 2kxm by Molmil
Solution NMR Structure of the 27 nucleotide engineered neomycin sensing riboswitch RNA-ribostmycin complex
Descriptor: RIBOSTAMYCIN, RNA (27-MER)
Authors:Duchardt-Ferner, E, Weigand, J.E, Ohlenschlager, O, Schmidtke, S.R, Suess, B, Wohnert, J.
Deposit date:2010-05-10
Release date:2011-04-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Highly modular structure and ligand binding by conformational capture in a minimalistic riboswitch.
Angew.Chem.Int.Ed.Engl., 49, 2010
2DTO
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BU of 2dto by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3 Complexed with ATP and Biotin
Descriptor: 235aa long hypothetical biotin--[acetyl-CoA-carboxylase] ligase, ADENOSINE-5'-TRIPHOSPHATE, BIOTIN
Authors:Bagautdinov, B, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-07-13
Release date:2007-01-13
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ligand Structures Of Biotin Protein Ligase From Pyrococcus Horikoshii Ot3
To be Published
4B0T
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BU of 4b0t by Molmil
Structure of the Pup Ligase PafA of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PUP--PROTEIN LIGASE
Authors:Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E.
Deposit date:2012-07-04
Release date:2012-09-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.159 Å)
Cite:Structures of Pup Ligase Pafa and Depupylase Dop from the Prokaryotic Ubiquitin-Like Modification Pathway.
Nat.Commun., 3, 2012
2DXT
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BU of 2dxt by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii Complexed with ATP and Biotin, Mutation D104A
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, BIOTIN, biotin--[acetyl-CoA-carboxylase] ligase
Authors:Bagautdinov, B, Matsuura, Y, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-08-30
Release date:2007-03-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Ligand Structures Of Biotin Protein Ligase From Pyrococcus Horikoshii Ot3
To be Published
7VHV
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BU of 7vhv by Molmil
Crystal structure of S. aureus D-alanine alanyl carrier protein ligase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, D-alanine--D-alanyl carrier protein ligase, MAGNESIUM ION
Authors:Lee, B.J, Lee, I.-G, Im, H.G, Yoon, H.J.
Deposit date:2021-09-23
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and functional analysis of the D-alanyl carrier protein ligase DltA from Staphylococcus aureus Mu50.
Acta Crystallogr D Struct Biol, 78, 2022
8Z7D
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BU of 8z7d by Molmil
Structure of G9a in complex with compound 9a
Descriptor: 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-[(phenylmethyl)amino]hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T.
Deposit date:2024-04-20
Release date:2025-01-22
Method:X-RAY DIFFRACTION (1.581 Å)
Cite:Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
8Z7E
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BU of 8z7e by Molmil
Structure of G9a in complex with compound 9b
Descriptor: Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ZINC ION, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T.
Deposit date:2024-04-20
Release date:2025-01-22
Method:X-RAY DIFFRACTION (1.545 Å)
Cite:Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
8Z7C
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BU of 8z7c by Molmil
Structure of G9a in complex with compound 7i
Descriptor: 3,6,6-trimethyl-~{N}-[(2~{S})-1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]amino]-1-oxidanylidene-hexan-2-yl]-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide, Histone-lysine N-methyltransferase EHMT2, SINEFUNGIN, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Ihara, K, Shirouzu, M, Umehara, T.
Deposit date:2024-04-20
Release date:2025-01-22
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment.
Bioorg.Med.Chem.Lett., 110, 2024
1X9N
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BU of 1x9n by Molmil
Crystal Structure of Human DNA Ligase I bound to 5'-adenylated, nicked DNA
Descriptor: 5'-phosphorylated DNA, ADENOSINE MONOPHOSPHATE, DNA ligase I, ...
Authors:Pascal, J.M, O'Brien, P.J, Tomkinson, A.E, Ellenberger, T.
Deposit date:2004-08-23
Release date:2004-11-30
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:Human DNA ligase I completely encircles and partially unwinds nicked DNA.
Nature, 432, 2004
5W97
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BU of 5w97 by Molmil
Crystal Structure of CO-bound Cytochrome c Oxidase determined by Serial Femtosecond X-Ray Crystallography at Room Temperature
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Rousseau, D.L, Yeh, S.-R, Ishigami, I, Zatsepin, N.A, Grant, T.D, Fromme, P, Fromme, R.
Deposit date:2017-06-22
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of CO-bound cytochrome c oxidase determined by serial femtosecond X-ray crystallography at room temperature.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8TQM
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BU of 8tqm by Molmil
Cryo-EM structure of E3 ubiquitin ligase Doa10 from Saccharomyces cerevisiae
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ERAD-associated E3 ubiquitin-protein ligase DOA10, ...
Authors:Park, E, Itskanov, S.I.
Deposit date:2023-08-07
Release date:2024-03-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Substrate recognition mechanism of the endoplasmic reticulum-associated ubiquitin ligase Doa10.
Nat Commun, 15, 2024
5WAU
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BU of 5wau by Molmil
Crystal Structure of CO-bound Cytochrome c Oxidase determined by Synchrotron X-Ray Crystallography at 100 K
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Fromme, R, Ishigami, I, Yeh, S.Y, Zatsepin, N, Grant, T, Fromme, P, Rousseau, D.
Deposit date:2017-06-27
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of CO-bound cytochrome c oxidase determined by serial femtosecond X-ray crystallography at room temperature.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3VMM
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BU of 3vmm by Molmil
Crystal structure of BacD, an L-amino acid dipeptide ligase from Bacillus subtilis
Descriptor: (2S)-3-[(S)-[(1R)-1-aminoethyl](phosphonooxy)phosphoryl]-2-benzylpropanoic acid, ADENOSINE-5'-DIPHOSPHATE, Alanine-anticapsin ligase BacD, ...
Authors:Shomura, Y, Higuchi, Y.
Deposit date:2011-12-14
Release date:2012-04-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and enzymatic characterization of BacD, an l-amino acid dipeptide ligase from Bacillus subtilis
Protein Sci., 2012
2OOA
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BU of 2ooa by Molmil
crystal structure of the UBA domain from Cbl-b ubiquitin ligase
Descriptor: E3 ubiquitin-protein ligase CBL-B
Authors:Kozlov, G, Gehring, K.
Deposit date:2007-01-25
Release date:2007-02-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural basis for ubiquitin-mediated dimerization and activation of the ubiquitin protein ligase Cbl-b.
Mol.Cell, 27, 2007
2E65
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BU of 2e65 by Molmil
Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii OT3, Mutation D104A
Descriptor: biotin--[acetyl-CoA-carboxylase] ligase
Authors:Bagautdinov, B, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-12-25
Release date:2007-06-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Ligand Structures Of Biotin Protein Ligase From Pyrococcus Horikoshii Ot3
To be Published
2I8C
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BU of 2i8c by Molmil
Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies
Descriptor: ADENOSINE-5'-DIPHOSPHATE, D-alanine-D-alanine ligase, MAGNESIUM ION, ...
Authors:Liu, S, Chang, J.S, Herberg, J.T, Horng, M, Tomich, P.K, Lin, A.H, Marotti, K.R.
Deposit date:2006-09-01
Release date:2006-09-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
9GIM
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BU of 9gim by Molmil
Full-lenght Nedd4-2 E3 ubiquitin ligase in presence of Ca2+
Descriptor: Isoform 5 of E3 ubiquitin-protein ligase NEDD4-like
Authors:Kosek, D, Janosev, M, Obsil, T, Obsilova, V.
Deposit date:2024-08-19
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (4.11 Å)
Cite:Structural basis of ubiquitin ligase Nedd4-2 autoinhibition and regulation by calcium and 14-3-3 proteins.
Nat Commun, 16, 2025
9GIK
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BU of 9gik by Molmil
Full-lenght Nedd4-2 E3 ubiquitin ligase
Descriptor: Isoform 5 of E3 ubiquitin-protein ligase NEDD4-like
Authors:Kosek, D, Janosev, M, Obsil, T, Obsilova, V.
Deposit date:2024-08-19
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structural basis of ubiquitin ligase Nedd4-2 autoinhibition and regulation by calcium and 14-3-3 proteins.
Nat Commun, 16, 2025
3A7A
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BU of 3a7a by Molmil
Crystal structure of E. coli lipoate-protein ligase A in complex with octyl-amp and apoH-protein
Descriptor: ADENOSINE MONOPHOSPHATE, Glycine cleavage system H protein, Lipoate-protein ligase A, ...
Authors:Fujiwara, K, Hosaka, H, Nakagawa, A.
Deposit date:2009-09-20
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Global conformational change associated with the two-step reaction catalyzed by Escherichia coli lipoate-protein ligase A.
J.Biol.Chem., 285, 2010
7XUB
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BU of 7xub by Molmil
Structure of G9a in complex with compound 10d
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
7XUC
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BU of 7xuc by Molmil
Structure of G9a in complex with compound 11a
Descriptor: 1,2-ETHANEDIOL, 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-phenylazanyl-hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide, CHLORIDE ION, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Umehara, T.
Deposit date:2022-05-18
Release date:2023-03-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Discovery of Novel Substrate-Competitive Lysine Methyltransferase G9a Inhibitors as Anticancer Agents.
J.Med.Chem., 66, 2023
2GWD
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BU of 2gwd by Molmil
Crystal structure of plant glutamate cysteine ligase in complex with Mg2+ and L-glutamate
Descriptor: ACETATE ION, GLUTAMIC ACID, Glutamate cysteine ligase, ...
Authors:Hothorn, M, Wachter, A, Gromes, R, Stuwe, T, Rausch, T, Scheffzek, K.
Deposit date:2006-05-04
Release date:2006-06-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structural basis for the redox control of plant glutamate cysteine ligase.
J.Biol.Chem., 281, 2006

238582

数据于2025-07-09公开中

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