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4B16
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BU of 4b16 by Molmil
crystal structure of tamarind chitinase like lectin (TCLL) complexed with N-acetyl glucosamine (GlcNAc)
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Patil, D.N, Kumar, P.
登録日2012-07-06
公開日2013-06-12
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Structural Investigation of a Novel N-Acetyl Glucosamine Binding Chi-Lectin which Reveals Evolutionary Relationship with Class III Chitinases.
Plos One, 8, 2013
4V97
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BU of 4v97 by Molmil
Crystal structure of the bacterial ribosome ram mutation G299A.
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Fagan, C.E, Dunkle, J.A, Maehigashi, T, Dunham, C.M.
登録日2012-04-06
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.516 Å)
主引用文献Reorganization of an intersubunit bridge induced by disparate 16S ribosomal ambiguity mutations mimics an EF-Tu-bound state.
Proc.Natl.Acad.Sci.USA, 110, 2013
4V8J
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BU of 4v8j by Molmil
Crystal structure of the bacterial ribosome ram mutation G347U.
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Fagan, C.E, Dunkle, J.A, Maehigashi, T, Dunham, C.M.
登録日2011-12-20
公開日2014-07-09
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Reorganization of an intersubunit bridge induced by disparate 16S ribosomal ambiguity mutations mimics an EF-Tu-bound state.
Proc.Natl.Acad.Sci.USA, 110, 2013
8FT8
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BU of 8ft8 by Molmil
The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone, Thr-Val linker variant, SUMO tag-free preparation
分子名称: CHLORIDE ION, GLYCEROL, POTASSIUM ION, ...
著者Gajjar, P.L, Litchfield, C.M, Callahan, M, Redd, N, Doukov, T, Moody, J.D.
登録日2023-01-11
公開日2023-03-01
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits.
Acta Crystallogr D Struct Biol, 79, 2023
8FT6
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BU of 8ft6 by Molmil
The von Willebrand factor A domain of human capillary morphogenesis gene II, flexibly fused to the 1TEL crystallization chaperone, Ala-Ala linker variant, SUMO tag-free preparation.
分子名称: CITRIC ACID, IODIDE ION, SULFATE ION, ...
著者Gajjar, P.L, Litchfield, C.M, Callahan, M, Redd, N, Doukov, T, Moody, J.D.
登録日2023-01-11
公開日2023-03-22
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits.
Acta Crystallogr D Struct Biol, 79, 2023
8CRU
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BU of 8cru by Molmil
PETase Ancestral Sequence Reconstruction 008
分子名称: CITRIC ACID, Poly(ethylene terephthalate) hydrolase
著者Joho, Y, Royan, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
登録日2022-05-11
公開日2022-09-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Ancestral Sequence Reconstruction Identifies Structural Changes Underlying the Evolution of Ideonella sakaiensis PETase and Variants with Improved Stability and Activity.
Biochemistry, 62, 2023
5DJS
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BU of 5djs by Molmil
Thermobaculum terrenum O-GlcNAc transferase mutant - K341M
分子名称: Tetratricopeptide TPR_2 repeat protein, URIDINE-5'-DIPHOSPHATE
著者Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F.
登録日2015-09-02
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
J.Biol.Chem., 290, 2015
5DIY
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BU of 5diy by Molmil
Thermobaculum terrenum O-GlcNAc hydrolase mutant - D120N
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hyaluronidase, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
著者Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F.
登録日2015-09-01
公開日2015-10-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
J.Biol.Chem., 290, 2015
8VEK
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BU of 8vek by Molmil
IsPETase - ACC mutant
分子名称: GLYCEROL, Poly(ethylene terephthalate) hydrolase, SULFATE ION
著者Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
登録日2023-12-19
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
8VE9
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BU of 8ve9 by Molmil
IsPETase - ACCCETN mutant - CombiPETase
分子名称: CHLORIDE ION, GLYCEROL, Poly(ethylene terephthalate) hydrolase
著者Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
登録日2023-12-18
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
8VEM
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BU of 8vem by Molmil
IsPETase - ACCE mutant
分子名称: Poly(ethylene terephthalate) hydrolase, SULFATE ION
著者Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
登録日2023-12-19
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.711 Å)
主引用文献Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
8VEL
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BU of 8vel by Molmil
IsPETase - ACCCC mutant
分子名称: Poly(ethylene terephthalate) hydrolase, SULFATE ION
著者Joho, Y, Royan, S, Newton, S, Caputo, A.T, Ardevol Grau, A, Jackson, C.
登録日2023-12-19
公開日2024-06-19
実験手法X-RAY DIFFRACTION (1.624 Å)
主引用文献Enhancing PET Degrading Enzymes: A Combinatory Approach.
Chembiochem, 25, 2024
9FGP
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BU of 9fgp by Molmil
cilia and flagella associated protein 299
分子名称: Cilia- and flagella-associated protein 299, ZINC ION
著者Wright, N.D, Koekemoer, L, Structural Genomics Consortium (SGC)
登録日2024-05-24
公開日2024-06-12
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献cilia and flagella associated protein 299
To Be Published
6X81
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BU of 6x81 by Molmil
Crystal Structure of TNFalpha with isoquinoline compound 2
分子名称: Tumor necrosis factor, [4-(isoquinolin-8-yl)phenyl]acetonitrile
著者Longenecker, K.L, Stoll, V.S.
登録日2020-06-01
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6X85
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BU of 6x85 by Molmil
Crystal Structure of TNFalpha with indolinone compound 9
分子名称: 1-{[2-(difluoromethoxy)phenyl]methyl}-2,2-dimethyl-1,2-dihydro-3H-indol-3-one, Tumor necrosis factor
著者Longenecker, K.L, Stoll, V.S.
登録日2020-06-01
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6X82
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BU of 6x82 by Molmil
Crystal Structure of TNFalpha with isoquinoline compound 4
分子名称: 8-[4-(2-{5-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[3,2-c]pyridin-3-yl)phenoxy}ethyl)phenyl]isoquinoline, Tumor necrosis factor
著者Longenecker, K.L, Stoll, V.S.
登録日2020-06-01
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6X86
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BU of 6x86 by Molmil
Crystal Structure of TNFalpha with indolinone compound 11
分子名称: 3-[(6-{2-[(3R)-4-(hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl}-2,2-dimethyl-3-oxo-2,3-dihydro-1H-indol-1-yl)methyl]pyridine-2-carbonitrile, Tumor necrosis factor
著者Longenecker, K.L, Stoll, V.S.
登録日2020-06-01
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
6X83
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BU of 6x83 by Molmil
Crystal Structure of TNFalpha with fragment compound 6
分子名称: 1-benzyl-1H-benzimidazole, Tumor necrosis factor
著者Longenecker, K.L, Stoll, V.S.
登録日2020-06-01
公開日2021-01-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Development of Orally Efficacious Allosteric Inhibitors of TNF alpha via Fragment-Based Drug Design.
J.Med.Chem., 64, 2021
8FZ4
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BU of 8fz4 by Molmil
The von Willebrand factor A domain of Anthrax toxin receptor 2
分子名称: Anthrax toxin receptor 2, CHLORIDE ION, MAGNESIUM ION
著者Pedroza-Romo, M.J, Soleimani, S, Lewis, A, Smith, T, Brown, S, Doukov, T, Moody, J.D.
登録日2023-01-27
公開日2023-03-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Increasing the bulk of the 1TEL-target linker and retaining the 10×His tag in a 1TEL-CMG2-vWa construct improves crystal order and diffraction limits.
Acta Crystallogr D Struct Biol, 79, 2023
7PI1
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BU of 7pi1 by Molmil
Bacillus subtilis PabB
分子名称: Aminodeoxychorismate synthase component 1, MAGNESIUM ION, TRYPTOPHAN
著者Rooms, L.D, Race, P.R.
登録日2021-08-19
公開日2022-09-07
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.729 Å)
主引用文献Crystal structure of Bacillus subtilis PabB, component 1.
To be published
6BY0
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BU of 6by0 by Molmil
Crystal structure of catalase HPII from E. coli in space group P1
分子名称: Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE
著者Lisa, M.N, Buschiazzo, A.
登録日2017-12-19
公開日2018-01-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.93 Å)
主引用文献SIMBAD: a sequence-independent molecular-replacement pipeline.
Acta Crystallogr D Struct Biol, 74, 2018
6B0D
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BU of 6b0d by Molmil
An E. coli DPS protein from ferritin superfamily
分子名称: DNA protection during starvation protein, FORMIC ACID, SODIUM ION
著者Rui, W, Ruslan, S, Ronan, K, Adam, J.S.
登録日2017-09-14
公開日2018-09-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献SIMBAD: a sequence-independent molecular-replacement pipeline.
Acta Crystallogr D Struct Biol, 74, 2018
6B6M
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BU of 6b6m by Molmil
Cyanase from Serratia proteamaculans
分子名称: Cyanate hydratase
著者Xu, Y.
登録日2017-10-02
公開日2017-10-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献SIMBAD: a sequence-independent molecular-replacement pipeline.
Acta Crystallogr D Struct Biol, 74, 2018
4AYQ
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BU of 4ayq by Molmil
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with mannoimidazole
分子名称: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J.
登録日2012-06-21
公開日2013-01-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
5LOE
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BU of 5loe by Molmil
Structure of full length Cody from Bacillus subtilis in complex with Ile
分子名称: GTP-sensing transcriptional pleiotropic repressor CodY, ISOLEUCINE
著者Wilkinson, A.J, Levdikov, V.M, Blagova, E.V.
登録日2016-08-09
公開日2017-01-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the Branched-chain Amino Acid and GTP-sensing Global Regulator, CodY, from Bacillus subtilis.
J. Biol. Chem., 292, 2017

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