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6TCY
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BU of 6tcy by Molmil
X-ray structure of Danio rerio histone deacetylase 6 (HDAC6) CD2 in complex with a inhibitor SS555
Descriptor: 1,2-ETHANEDIOL, 2-METHOXYETHANOL, 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, ...
Authors:Stransky, J, Barinka, C.
Deposit date:2019-11-06
Release date:2020-11-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Rational Design of Suprastat: A Novel Selective Histone Deacetylase 6 Inhibitor with the Ability to Potentiate Immunotherapy in Melanoma Models.
J.Med.Chem., 63, 2020
6TDU
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BU of 6tdu by Molmil
Cryo-EM structure of Euglena gracilis mitochondrial ATP synthase, full dimer, rotational states 1
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Muhleip, A, Amunts, A.
Deposit date:2019-11-10
Release date:2019-11-27
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.32 Å)
Cite:Structure of a mitochondrial ATP synthase with bound native cardiolipin.
Elife, 8, 2019
6TEE
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BU of 6tee by Molmil
Crystal structure of monooxygenase RutA under anaerobic conditions.
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, Pyrimidine monooxygenase RutA
Authors:Saleem-Batcha, R, Matthews, A, Teufel, R.
Deposit date:2019-11-11
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases.
Nat.Chem.Biol., 16, 2020
6TEF
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BU of 6tef by Molmil
Crystal structure of monooxygenase RutA complexed with dioxygen under 0.5 MPa / 5 bars of oxygen pressure.
Descriptor: FLAVIN MONONUCLEOTIDE, GLYCEROL, OXYGEN MOLECULE, ...
Authors:Saleem-Batcha, R, Matthews, A, Teufel, R.
Deposit date:2019-11-11
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases.
Nat.Chem.Biol., 16, 2020
6TEG
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BU of 6teg by Molmil
Crystal structure of monooxygenase RutA complexed with uracil and dioxygen under 1.5 MPa / 15 bars of oxygen pressure.
Descriptor: FLAVIN MONONUCLEOTIDE, OXYGEN MOLECULE, Pyrimidine monooxygenase RutA, ...
Authors:Saleem-Batcha, R, Matthews, A, Teufel, R.
Deposit date:2019-11-11
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Aminoperoxide adducts expand the catalytic repertoire of flavin monooxygenases.
Nat.Chem.Biol., 16, 2020
6TF9
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BU of 6tf9 by Molmil
Structure of the vertebrate gamma-Tubulin Ring Complex
Descriptor: Actin, cytoplasmic 1, Belt helices 1,2,3,4, ...
Authors:Zupa, E, Pfeffer, S.
Deposit date:2019-11-13
Release date:2019-12-11
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Insights into the assembly and activation of the microtubule nucleator gamma-TuRC.
Nature, 578, 2020
6TG4
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BU of 6tg4 by Molmil
Tankyrase 2 in complex with an inhibitor (OM-1700)
Descriptor: N-[3-[5-(5-ethoxypyridin-2-yl)-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide, Tankyrase-2, ZINC ION
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2019-11-15
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Preclinical Lead Optimization of a 1,2,4-Triazole Based Tankyrase Inhibitor.
J.Med.Chem., 63, 2020
6TG8
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BU of 6tg8 by Molmil
Crystal structure of the Kelch domain in complex with 11 amino acid peptide (model of the ETGE loop)
Descriptor: Kelch-like ECH-associated protein 1, SODIUM ION, VAL-ILE-ASN-PRO-GLU-THR-GLY-GLU-GLN-ILE-GLN
Authors:Kekez, I, Matic, S, Tomic, S, Matkovic-Calogovic, D.
Deposit date:2019-11-15
Release date:2020-09-16
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Binding of dipeptidyl peptidase III to the oxidative stress cell sensor Kelch-like ECH-associated protein 1 is a two-step process.
J.Biomol.Struct.Dyn., 39, 2021
6TGC
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BU of 6tgc by Molmil
CryoEM structure of the ternary DOCK2-ELMO1-RAC1 complex.
Descriptor: Dedicator of cytokinesis protein 2, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1
Authors:Chang, L, Yang, J, Chang, J.H, Zhang, Z, Boland, A, McLaughlin, S.H, Abu-Thuraia, A, Killoran, R.C, Smith, M.J, Cote, J.F, Barford, D.
Deposit date:2019-11-15
Release date:2020-07-29
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of the DOCK2-ELMO1 complex provides insights into regulation of the auto-inhibited state.
Nat Commun, 11, 2020
6TH6
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BU of 6th6 by Molmil
Cryo-EM Structure of T. kodakarensis 70S ribosome
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Matzov, D, Sas-Chen, A, Thomas, J.M, Santangelo, T, Meier, J.L, Schwartz, S, Shalev-Benami, M.
Deposit date:2019-11-18
Release date:2020-07-29
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Dynamic RNA acetylation revealed by quantitative cross-evolutionary mapping.
Nature, 583, 2020
6THY
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BU of 6thy by Molmil
Botulinum neurotoxin A3 Hc domain in complex with GD1a
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BoNT/A3, ...
Authors:Gregory, K.S, Acharya, K.R, Liu, S.M.
Deposit date:2019-11-21
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal structure of botulinum neurotoxin subtype A3 cell binding domain in complex with GD1a co-receptor ganglioside.
Febs Open Bio, 10, 2020
6TIB
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BU of 6tib by Molmil
Structure of A. niger Fdc I327S variant in complex with 2 naphthoic acid
Descriptor: DI(HYDROXYETHYL)ETHER, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIC
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BU of 6tic by Molmil
Structure of A. niger Fdc I327S variant in complex with benzothiophene 2 carboxylic acid
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.281 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TID
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BU of 6tid by Molmil
Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with H-type 1 antigen
Descriptor: Lectin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Varrot, A, Bermeo, R.
Deposit date:2019-11-22
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.614 Å)
Cite:BC2L-C N-Terminal Lectin Domain Complexed with Histo Blood Group Oligosaccharides Provides New Structural Information.
Molecules, 25, 2020
6TIE
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BU of 6tie by Molmil
Structure of A. niger Fdc I327S variant in complex with indol-2-carboxylic acid
Descriptor: 1H-indole-2-carboxylic acid, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIG
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BU of 6tig by Molmil
Structure of the N terminal domain of Bc2L-C lectin (1-131) in complex with Globo H (H-type 3) antigen
Descriptor: Lectin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-alpha-D-galactopyranose-(1-4)-beta-D-galactopyranose
Authors:Varrot, A, Bermeo, R.
Deposit date:2019-11-22
Release date:2020-01-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:BC2L-C N-Terminal Lectin Domain Complexed with Histo Blood Group Oligosaccharides Provides New Structural Information.
Molecules, 25, 2020
6TIH
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BU of 6tih by Molmil
Structure of A. niger Fdc WT in complex with benzothiophene 2 carboxylic acid
Descriptor: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.021 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TII
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BU of 6tii by Molmil
Crystal structure of penicillin-binding protein 2 from Yersinia pestis
Descriptor: BROMIDE ION, Peptidoglycan D,D-transpeptidase MrdA
Authors:Pankov, G, Hunter, W.N, Dawson, A.
Deposit date:2019-11-22
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:The structure of penicillin-binding protein 2 from Yersinia pestis
To Be Published
6TIJ
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BU of 6tij by Molmil
Structure of A. niger Fdc WT in complex with indol-2-carboxylic acid
Descriptor: 1H-indole-2-carboxylic acid, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIL
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BU of 6til by Molmil
Structure of A. niger Fdc WT in complex with FMN and 2 naphthoic acid
Descriptor: FLAVIN MONONUCLEOTIDE, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIN
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BU of 6tin by Molmil
Structure of A. niger Fdc WT in complex with FMN and indole 2 carboxylic acid
Descriptor: 1H-indole-2-carboxylic acid, FLAVIN MONONUCLEOTIDE, Ferulic acid decarboxylase 1, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIO
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BU of 6tio by Molmil
Structure of A. niger Fdc Wt in complex with FMN and benzothiophene 2 carboxylic acid
Descriptor: FLAVIN MONONUCLEOTIDE, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
Authors:Leys, D.
Deposit date:2019-11-22
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Enzymatic C-H activation of aromatic compounds through CO 2 fixation.
Nat.Chem.Biol., 16, 2020
6TIX
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BU of 6tix by Molmil
Crystal structure of penicillin-binding protein 2 from Yersinia pestis in complex with mecillinam
Descriptor: 2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Peptidoglycan D,D-transpeptidase MrdA
Authors:Pankov, G, Hunter, W.N, Dawson, A.
Deposit date:2019-11-22
Release date:2020-12-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The structure of penicillin-binding protein 2 from Yersinia pestis in complex with mecillinam
To Be Published
6TJJ
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BU of 6tjj by Molmil
Structure of Cerezyme at pH 4.6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
6TJK
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BU of 6tjk by Molmil
Crystal Structure of Recombinant GBA in Complex with Bis-Tris Propane.
Descriptor: 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2019-11-26
Release date:2020-06-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020

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数据于2025-07-02公开中

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