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6WUX
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BU of 6wux by Molmil
NMR soltution structure of homotarsinin homodimer - Htr
分子名称: Homotarsinin
著者Verly, R.M.
登録日2020-05-05
公開日2021-05-05
実験手法SOLUTION NMR
主引用文献Structure and membrane interactions of the homodimeric antibiotic peptide homotarsinin.
Sci Rep, 7, 2017
5MQQ
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BU of 5mqq by Molmil
Transcriptional repressor AmtR of corynebacterium glutamicum
分子名称: AmtR protein, SULFATE ION
著者Sevvana, M, Hasselt, K, Muller, Y.A.
登録日2016-12-20
公開日2017-03-15
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.093 Å)
主引用文献Similarities in the structure of the transcriptional repressor AmtR in two different space groups suggest a model for the interaction with GlnK.
Acta Crystallogr F Struct Biol Commun, 73, 2017
7SOL
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BU of 7sol by Molmil
Crystal Structures of the bispecific ubiquitin/FAT10 activating enzyme, Uba6
分子名称: ADENOSINE MONOPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Ubiquitin, ...
著者Olsen, S.K, Gao, F, Lv, Z.
登録日2021-10-31
公開日2022-11-02
最終更新日2024-04-17
実験手法X-RAY DIFFRACTION (2.25000644 Å)
主引用文献Crystal structures reveal catalytic and regulatory mechanisms of the dual-specificity ubiquitin/FAT10 E1 enzyme Uba6.
Nat Commun, 13, 2022
8G46
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Cryo-EM structure of DDB1deltaB-DDA1-DCAF16-BRD4(BD2)-MMH2
分子名称: Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DET1- and DDB1-associated protein 1, ...
著者Ma, M.W, Hunkeler, M, Jin, C.Y, Fischer, E.S.
登録日2023-02-08
公開日2023-03-08
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Template-assisted covalent modification of DCAF16 underlies activity of BRD4 molecular glue degraders.
Biorxiv, 2023
6XN0
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BU of 6xn0 by Molmil
Crystal structure of GH43_1 enzyme from Xanthomonas citri
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
登録日2020-07-02
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.709 Å)
主引用文献Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations.
Nat Commun, 12, 2021
7P4U
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BU of 7p4u by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
分子名称: Transcriptional regulator MvfR, ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
著者Schmelz, S, Blankenfeldt, W.
登録日2021-07-13
公開日2022-07-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Towards Translation of PqsR Inverse Agonists: From In Vitro Efficacy Optimization to In Vivo Proof-of-Principle.
Adv Sci, 10, 2023
5L16
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BU of 5l16 by Molmil
Crystal Structure of N-terminus truncated selenophosphate synthetase from Leishmania major
分子名称: Putative selenophosphate synthetase, SULFATE ION
著者Faim, L.M, Silva, I.R, Pereira, H.M, Dias, M.B, Silva, M.T.A, Brandao-Neto, J, Thiemann, O.H.
登録日2016-07-28
公開日2017-08-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Trypanosomatid selenophosphate synthetase structure, function and interaction with selenocysteine lyase.
Plos Negl Trop Dis, 14, 2020
2YFE
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BU of 2yfe by Molmil
Ligand binding domain of human PPAR gamma in complex with amorfrutin 1
分子名称: Amorfrutin 1, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
著者de Groot, J.C, Buessow, K.
登録日2011-04-05
公開日2012-04-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Amorfrutins are Potent Antidiabetic Dietary Natural Products
Proc.Natl.Acad.Sci.USA, 109, 2012
2YPI
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CRYSTALLOGRAPHIC ANALYSIS OF THE COMPLEX BETWEEN TRIOSEPHOSPHATE ISOMERASE AND 2-PHOSPHOGLYCOLATE AT 2.5-ANGSTROMS RESOLUTION. IMPLICATIONS FOR CATALYSIS
分子名称: 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE
著者Lolis, E, Petsko, G.A.
登録日1990-01-12
公開日1991-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystallographic analysis of the complex between triosephosphate isomerase and 2-phosphoglycolate at 2.5-A resolution: implications for catalysis.
Biochemistry, 29, 1990
5M6Q
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Crystal Structure of Kutzneria albida transglutaminase
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, TETRAETHYLENE GLYCOL, ...
著者Steffen, W, Benz, J, Rudolph, M.G.
登録日2016-10-25
公開日2017-07-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Discovery of a microbial transglutaminase enabling highly site-specific labeling of proteins.
J. Biol. Chem., 292, 2017
5TBO
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BU of 5tbo by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421
分子名称: 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
著者Deng, X, Phillips, M.
登録日2016-09-12
公開日2016-09-28
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria.
ACS Infect Dis, 2, 2016
1FY1
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BU of 1fy1 by Molmil
[R23S,F25E]HBP, A MUTANT OF HUMAN HEPARIN BINDING PROTEIN (CAP37)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ETHANOL, ...
著者Kastrup, J.S, Linde, V, Pedersen, A.K, Stoffer, B, Iversen, L.F, Larsen, I.K, Rasmussen, P.B, Flodgaard, H.J, Bjorn, S.E.
登録日2000-09-28
公開日2001-09-28
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Two mutants of human heparin binding protein (CAP37): toward the understanding of the nature of lipid A/LPS and BPTI binding.
Proteins, 42, 2001
1FY3
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[G175Q]HBP, A mutant of human heparin binding protein (CAP37)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Kastrup, J.S, Linde, V, Pedersen, A.K, Stoffer, B, Iversen, L.F, Larsen, I.K, Rasmussen, P.B, Flodgaard, H.J, Bjorn, S.E.
登録日2000-09-28
公開日2001-09-28
最終更新日2021-11-03
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Two mutants of human heparin binding protein (CAP37): toward the understanding of the nature of lipid A/LPS and BPTI binding.
Proteins, 42, 2001
7PON
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BU of 7pon by Molmil
C TERMINAL DOMAIN OF NIPAH VIRUS PHOSPHOPROTEIN
分子名称: Phosphoprotein
著者Yabukarski, F, Tarbouriech, N, Jamin, M, Bourhis, J.M.
登録日2021-09-09
公開日2022-04-20
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Dynamics of the C-terminal X Domain of Nipah and Hendra Viruses Controls the Attachment to the C-terminal Tail of the Nucleocapsid Protein.
J.Mol.Biol., 434, 2022
7PNO
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BU of 7pno by Molmil
C terminal domain of Nipah Virus Phosphoprotein fused to the Ntail alpha more of the Nucleoprotein.
分子名称: Phosphoprotein, alpha MoRE of Nipah virus Nucleoprotein tail
著者Bourhis, J.M, Yabukaski, F, Tarbouriech, N, Jamin, M.
登録日2021-09-07
公開日2022-04-20
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural Dynamics of the C-terminal X Domain of Nipah and Hendra Viruses Controls the Attachment to the C-terminal Tail of the Nucleocapsid Protein.
J.Mol.Biol., 434, 2022
6KZK
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BU of 6kzk by Molmil
Structure of alginate lyase Aly36B mutant K143A/M171A in complex with alginate trisaccharide
分子名称: Alginate lyase, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
著者Zhang, Y.Z, Dong, F, Chen, X.L.
登録日2019-09-24
公開日2020-09-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.789 Å)
主引用文献Alginate Lyase Aly36B is a New Bacterial Member of the Polysaccharide Lyase Family 36 and Catalyzes by a Novel Mechanism With Lysine as Both the Catalytic Base and Catalytic Acid.
J.Mol.Biol., 431, 2019
7RU7
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BU of 7ru7 by Molmil
Crystal structure of BtrK, a decarboxylase involved in butirosin biosynthesis
分子名称: DI(HYDROXYETHYL)ETHER, L-glutamyl-[BtrI acyl-carrier protein] decarboxylase, PYRIDOXAL-5'-PHOSPHATE
著者Arenas, L.A.R, Paiva, F.C.R, Huang, F, Leadlay, P, Dias, M.V.B.
登録日2021-08-16
公開日2022-08-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Crystal structure of BtrK, a decarboxylase involved in the (S)-4-amino-2-hydroxybutyrate (AHBA) formation during butirosin biosynthesis
J.Mol.Struct., 1267, 2022
8UUO
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BU of 8uuo by Molmil
Prototypic SARS-CoV-2 spike (containing V417) in the open conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
著者Geng, Q, Liu, B, Li, F.
登録日2023-11-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUM
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BU of 8uum by Molmil
Prototypic SARS-CoV-2 spike (containing K417) in the open conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
著者Geng, Q, Liu, B, Li, F.
登録日2023-11-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUN
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BU of 8uun by Molmil
Prototypic SARS-CoV-2 spike (containing V417) in the closed conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Geng, Q, Liu, B, Li, F.
登録日2023-11-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
8UUL
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BU of 8uul by Molmil
Prototypic SARS-CoV-2 spike (containing K417) in the closed conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
著者Geng, Q, Liu, B, Li, F.
登録日2023-11-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Lys417 acts as a molecular switch that regulates the conformation of SARS-CoV-2 spike protein.
Elife, 12, 2023
6XN2
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BU of 6xn2 by Molmil
Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylotriose
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
登録日2020-07-02
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.652 Å)
主引用文献Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations.
Nat Commun, 12, 2021
6XN1
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Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylose
分子名称: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
登録日2020-07-02
公開日2020-12-02
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Two distinct catalytic pathways for GH43 xylanolytic enzymes unveiled by X-ray and QM/MM simulations.
Nat Commun, 12, 2021
4YNK
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Crystal structure of vitamin D receptor ligand binding domain complexed with a 19-norvitamin D compound
分子名称: (1R,3R,7E,17beta)-17-{(5S)-5-hydroxy-5-[(3R,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-1-yl]penta-1,3-diyn-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol, Coactivator peptide drip from cDNA FLJ50196, highly similar to Peroxisome proliferator-activated receptor-binding protein, ...
著者Watarai, Y, Ikura, T, Ito, N.
登録日2015-03-10
公開日2016-01-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Synthesis, Biological Activities, and X-ray Crystal Structural Analysis of 25-Hydroxy-25(or 26)-adamantyl-17-[20(22),23-diynyl]-21-norvitamin D Compounds
J.Med.Chem., 58, 2015
4U0V
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BU of 4u0v by Molmil
Crystal structure of YvoA from Bacillus subtilis in complex with glucosamine-6-phosphate
分子名称: 1,2-ETHANEDIOL, 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, HTH-type transcriptional repressor YvoA
著者Fillenberg, S.B, Muller, Y.A.
登録日2014-07-14
公開日2015-01-14
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.051 Å)
主引用文献Structural insight into operator dre-sites recognition and effector binding in the GntR/HutC transcription regulator NagR.
Nucleic Acids Res., 43, 2015

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