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3O1U
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BU of 3o1u by Molmil
Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase
Descriptor: Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), DNA (5'-D(*AP*GP*GP*TP*AP*AP*(MDV)P*AP*CP*CP*GP*T)-3'), ...
Authors:Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C.
Deposit date:2010-07-22
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
Nature, 468, 2010
8Q4V
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BU of 8q4v by Molmil
Crystal structure of YTHDC1 in complex with Compound 37 (ZA_356)
Descriptor: 2-chloranyl-9-[(3-chlorophenyl)methyl]-~{N}-cyclopropyl-7,8-dihydropurin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
1XXN
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Crystal structure of a mesophilic xylanase A from Bacillus subtilis 1A1
Descriptor: Endo-1,4-beta-xylanase A, S,R MESO-TARTARIC ACID
Authors:Murakami, M.T, Ruller, R, Ward, R.J, Arni, R.K.
Deposit date:2004-11-07
Release date:2005-10-18
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Correlation of temperature induced conformation change with optimum catalytic activity in the recombinant G/11 xylanase A from Bacillus subtilis strain 168 (1A1).
Febs Lett., 579, 2005
6KKA
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BU of 6kka by Molmil
Xylanase J mutant from Bacillus sp. 41M-1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Suzuki, M, Takita, T, Nakatani, K.
Deposit date:2019-07-24
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Increase in the thermostability of GH11 xylanase XynJ from Bacillus sp. strain 41M-1 using site saturation mutagenesis.
Enzyme.Microb.Technol., 130, 2019
8Q31
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BU of 8q31 by Molmil
Crystal structure of YTHDC1 in complex with Compound 12 (ZA_341)
Descriptor: 9-[(2-aminophenyl)methyl]-2-chloranyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
6KKR
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BU of 6kkr by Molmil
human KCC1 structure determined in KCl and detergent GDN
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Liu, S, Chang, S, Ye, S, Bai, X, Guo, J.
Deposit date:2019-07-27
Release date:2019-10-23
Last modified:2020-08-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
8Q4P
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BU of 8q4p by Molmil
Crystal structure of YTHDC1 in complex with Compound 27 (ZA_309)
Descriptor: 2-chloranyl-9-[(3-methoxyphenyl)methyl]-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2R
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BU of 8q2r by Molmil
Crystal structure of YTHDC1 in complex with Compound 3 (ZA_431)
Descriptor: 5-chloranyl-~{N},3-dimethyl-1~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Li, Y, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
2YLR
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BU of 2ylr by Molmil
SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHENYLACETONE MONOOXYGENASE
Authors:Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A.
Deposit date:2011-06-06
Release date:2011-06-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
6KLL
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BU of 6kll by Molmil
F-actin of cardiac thin filament in low-calcium state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Oda, T, Yanagisawa, H, Wakabayashi, T.
Deposit date:2019-07-30
Release date:2020-01-15
Last modified:2020-03-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures of cardiac thin filaments reveal the 3D architecture of troponin.
J.Struct.Biol., 209, 2020
2V5D
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BU of 2v5d by Molmil
Structure of a Family 84 Glycoside Hydrolase and a Family 32 Carbohydrate-Binding Module in Tandem from Clostridium perfringens.
Descriptor: CALCIUM ION, O-GLCNACASE NAGJ
Authors:Ficko-Blean, E, Gregg, K.J, Adams, J.J, Hehemann, J.H, Smith, S.J, Czjzek, M, Boraston, A.B.
Deposit date:2008-10-02
Release date:2009-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Portrait of an Enzyme: A Complete Structural Analysis of a Multi-Modular Beta-N-Acetylglucosaminidase from Clostridium Perfringens
J.Biol.Chem., 284, 2009
8Q2Y
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BU of 8q2y by Molmil
Crystal structure of YTHDC1 in complex with Compound 11 (ZA_572)
Descriptor: 2-[2-chloranyl-6-(methylamino)purin-9-yl]-~{N}-phenyl-ethanamide, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q3G
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BU of 8q3g by Molmil
Crystal structure of YTHDC1 in complex with Compound 23 (ZA_385)
Descriptor: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]-~{N}-methyl-benzamide, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-04
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
2V7J
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BU of 2v7j by Molmil
PrnB L-tryptophan complex
Descriptor: PRNB, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ...
Authors:Naismith, J.H.
Deposit date:2007-07-30
Release date:2007-08-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Second Enzyme in Pyrrolnitrin Biosynthetic Pathway is Related to the Heme-Dependent Dioxygenase Superfamily
Biochemistry, 46, 2007
8Q2X
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BU of 8q2x by Molmil
Crystal structure of YTHDC1 in complex with Compound 10 (ZA_294)
Descriptor: 3-[2-chloranyl-6-(methylamino)purin-9-yl]benzoic acid, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q4W
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BU of 8q4w by Molmil
Crystal structure of YTHDC1 in complex with Compound 40 (CS_3a)
Descriptor: 5-chloranyl-3-[(3-chlorophenyl)methyl]-~{N}-methyl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
2VBX
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BU of 2vbx by Molmil
Feast or famine regulatory protein (Rv3291c)from M. tuberculosis complexed with L-Phenylalanine
Descriptor: HISTIDINE, TRANSCRIPTIONAL REGULATORY PROTEIN
Authors:Shrivastava, T, Ramachandran, R.
Deposit date:2007-09-18
Release date:2007-11-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Mechanistic Insights from the Crystal Structures of a Feast/Famine Regulatory Protein from Mycobacterium Tuberculosis H37Rv.
Nucleic Acids Res., 35, 2007
8Q3A
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BU of 8q3a by Molmil
Crystal structure of YTHDC1 in complex with Compound 22 (ZA_393)
Descriptor: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzamide, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
3O1O
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BU of 3o1o by Molmil
Iron-Catalyzed Oxidation Intermediates Captured in A DNA Repair Dioxygenase
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase AlkB, DNA (5'-D(*AP*AP*CP*GP*GP*TP*AP*TP*TP*AP*CP*CP*T)-3'), ...
Authors:Yi, C, Jia, G, Hou, G, Dai, Q, Zhang, W, Zheng, G, Jian, X, Yang, C.-G, Cui, Q, He, C.
Deposit date:2010-07-21
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase
Nature, 468, 2010
2VG7
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BU of 2vg7 by Molmil
Crystal structures of HIV-1 reverse transcriptase complexes with thiocarbamate non-nucleoside inhibitors
Descriptor: O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate, P51 RT, REVERSE TRANSCRIPTASE/RIBONUCLEASE H
Authors:Spallarossa, A, Cesarini, S, Ranise, A, Ponassi, M, Unge, T, Bolognesi, M.
Deposit date:2007-11-08
Release date:2007-12-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Crystal Structures of HIV-1 Reverse Transcriptase Complexes with Thiocarbamate Non-Nucleoside Inhibitors.
Biochem.Biophys.Res.Commun., 365, 2008
8Q4N
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BU of 8q4n by Molmil
Crystal structure of YTHDC1 in complex with Compound 26 (ZA_513)
Descriptor: 3-[[2-chloranyl-6-(methylamino)purin-9-yl]methyl]benzenecarbonitrile, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-07
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
1XY3
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BU of 1xy3 by Molmil
Urate oxidase from aspergillus flavus complexed with guanine
Descriptor: GUANINE, Uricase
Authors:Retailleau, P, Colloc'h, N, Vivares, D, Bonnete, F, Castro, B, El Hajji, M, Prange, T.
Deposit date:2004-11-09
Release date:2005-03-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site.
Acta Crystallogr.,Sect.D, 61, 2005
8Q2S
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BU of 8q2s by Molmil
Crystal structure of YTHDC1 in complex with Compound 4 (ZA_232)
Descriptor: 2-chloranyl-~{N}-methyl-9-phenyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q35
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Crystal structure of YTHDC1 in complex with Compound 16 (ZA_354)
Descriptor: 9-[[2-[bis(fluoranyl)methyl]phenyl]methyl]-2-chloranyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024
8Q2V
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Crystal structure of YTHDC1 in complex with Compound 7 (ZA_560)
Descriptor: 2-chloranyl-~{N}-methyl-9-[(2~{S})-oxan-2-yl]purin-6-amine, SULFATE ION, YTH domain-containing protein 1
Authors:Bedi, R.K, Zalesak, F, Caflisch, A.
Deposit date:2023-08-03
Release date:2023-12-06
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure-Based Design of a Potent and Selective YTHDC1 Ligand.
J.Med.Chem., 67, 2024

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