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6WUX
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BU of 6wux by Molmil
NMR soltution structure of homotarsinin homodimer - Htr
Descriptor: Homotarsinin
Authors:Verly, R.M.
Deposit date:2020-05-05
Release date:2021-05-05
Method:SOLUTION NMR
Cite: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
Descriptor: AmtR protein, SULFATE ION
Authors:Sevvana, M, Hasselt, K, Muller, Y.A.
Deposit date:2016-12-20
Release date:2017-03-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.093 Å)
Cite: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
Descriptor: ADENOSINE MONOPHOSPHATE, INOSITOL HEXAKISPHOSPHATE, Ubiquitin, ...
Authors:Olsen, S.K, Gao, F, Lv, Z.
Deposit date:2021-10-31
Release date:2022-11-02
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (2.25000644 Å)
Cite: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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BU of 8g46 by Molmil
Cryo-EM structure of DDB1deltaB-DDA1-DCAF16-BRD4(BD2)-MMH2
Descriptor: Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DET1- and DDB1-associated protein 1, ...
Authors:Ma, M.W, Hunkeler, M, Jin, C.Y, Fischer, E.S.
Deposit date:2023-02-08
Release date:2023-03-08
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite: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
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
Deposit date:2020-07-02
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.709 Å)
Cite: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
Descriptor: Transcriptional regulator MvfR, ~{N}-[[2-(3-chloranyl-4-propan-2-yloxy-phenyl)pyrimidin-5-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-07-13
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.74 Å)
Cite: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
Descriptor: Putative selenophosphate synthetase, SULFATE ION
Authors:Faim, L.M, Silva, I.R, Pereira, H.M, Dias, M.B, Silva, M.T.A, Brandao-Neto, J, Thiemann, O.H.
Deposit date:2016-07-28
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.882 Å)
Cite: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
Descriptor: Amorfrutin 1, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR GAMMA
Authors:de Groot, J.C, Buessow, K.
Deposit date:2011-04-05
Release date:2012-04-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Amorfrutins are Potent Antidiabetic Dietary Natural Products
Proc.Natl.Acad.Sci.USA, 109, 2012
2YPI
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BU of 2ypi by Molmil
CRYSTALLOGRAPHIC ANALYSIS OF THE COMPLEX BETWEEN TRIOSEPHOSPHATE ISOMERASE AND 2-PHOSPHOGLYCOLATE AT 2.5-ANGSTROMS RESOLUTION. IMPLICATIONS FOR CATALYSIS
Descriptor: 2-PHOSPHOGLYCOLIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Lolis, E, Petsko, G.A.
Deposit date:1990-01-12
Release date:1991-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 5m6q by Molmil
Crystal Structure of Kutzneria albida transglutaminase
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, TETRAETHYLENE GLYCOL, ...
Authors:Steffen, W, Benz, J, Rudolph, M.G.
Deposit date:2016-10-25
Release date:2017-07-26
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.98 Å)
Cite: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
Descriptor: 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, ...
Authors:Deng, X, Phillips, M.
Deposit date:2016-09-12
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.151 Å)
Cite: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)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ETHANOL, ...
Authors: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.
Deposit date:2000-09-28
Release date:2001-09-28
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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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BU of 1fy3 by Molmil
[G175Q]HBP, A mutant of human heparin binding protein (CAP37)
Descriptor: 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, ...
Authors: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.
Deposit date:2000-09-28
Release date:2001-09-28
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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
Descriptor: Phosphoprotein
Authors:Yabukarski, F, Tarbouriech, N, Jamin, M, Bourhis, J.M.
Deposit date:2021-09-09
Release date:2022-04-20
Last modified:2022-04-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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.
Descriptor: Phosphoprotein, alpha MoRE of Nipah virus Nucleoprotein tail
Authors:Bourhis, J.M, Yabukaski, F, Tarbouriech, N, Jamin, M.
Deposit date:2021-09-07
Release date:2022-04-20
Last modified:2022-04-27
Method:X-RAY DIFFRACTION (2.79 Å)
Cite: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
Descriptor: Alginate lyase, CALCIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Zhang, Y.Z, Dong, F, Chen, X.L.
Deposit date:2019-09-24
Release date:2020-09-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.789 Å)
Cite: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
Descriptor: DI(HYDROXYETHYL)ETHER, L-glutamyl-[BtrI acyl-carrier protein] decarboxylase, PYRIDOXAL-5'-PHOSPHATE
Authors:Arenas, L.A.R, Paiva, F.C.R, Huang, F, Leadlay, P, Dias, M.V.B.
Deposit date:2021-08-16
Release date:2022-08-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.4 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, alpha-D-mannopyranose, ...
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite: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
Descriptor: 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
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite: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
Descriptor: 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
Authors:Geng, Q, Liu, B, Li, F.
Deposit date:2023-11-01
Release date:2023-11-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite: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
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
Deposit date:2020-07-02
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.652 Å)
Cite: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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BU of 6xn1 by Molmil
Crystal structure of the GH43_1 enzyme from Xanthomonas citri complexed with xylose
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Morais, M.A.B, Tonoli, C.C.C, Santos, C.R, Murakami, M.T.
Deposit date:2020-07-02
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite: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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BU of 4ynk by Molmil
Crystal structure of vitamin D receptor ligand binding domain complexed with a 19-norvitamin D compound
Descriptor: (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, ...
Authors:Watarai, Y, Ikura, T, Ito, N.
Deposit date:2015-03-10
Release date:2016-01-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, HTH-type transcriptional repressor YvoA
Authors:Fillenberg, S.B, Muller, Y.A.
Deposit date:2014-07-14
Release date:2015-01-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.051 Å)
Cite: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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数据于2024-06-12公开中

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