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6L84
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BU of 6l84 by Molmil
Complex of DNA polymerase IV and D-DNA duplex
分子名称: CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), DNA (5'-D(P*CP*GP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ...
著者Chung, H.S, An, J, Hwang, D.
登録日2019-11-04
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献The crystal structure of a natural DNA polymerase complexed with mirror DNA.
Chem.Commun.(Camb.), 56, 2020
6LE2
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BU of 6le2 by Molmil
Structure of D-carbamoylase mutant from Nitratireductor indicus
分子名称: 1,2-ETHANEDIOL, GLYCEROL, N-carbamoyl-D-amino-acid hydrolase
著者Ni, Y, Liu, Y.F, Xu, G.C, Dai, W.
登録日2019-11-23
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
6LED
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BU of 6led by Molmil
Structure of D-carbamoylase mutant from Nitratireductor indicus
分子名称: 1,2-ETHANEDIOL, N-carbamoyl-D-amino-acid hydrolase
著者Ni, Y, Liu, Y.F, Xu, G.C.
登録日2019-11-25
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Structure-Guided Engineering of D-Carbamoylase Reveals a Key Loop at Substrate Entrance Tunnel
Acs Catalysis, 10, 2020
6ZJT
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BU of 6zjt by Molmil
Cold-adapted beta-D-galactosidase from Arthrobacter sp. 32cB mutant E441Q in complex with lactulose
分子名称: ACETATE ION, Beta-galactosidase, SODIUM ION, ...
著者Rutkiewicz, M, Bujacz, A, Bujacz, G.
登録日2020-06-29
公開日2020-08-05
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Mapping the Transglycosylation Relevant Sites of Cold-Adapted beta-d-Galactosidase fromArthrobactersp. 32cB.
Int J Mol Sci, 21, 2020
4VGC
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BU of 4vgc by Molmil
GAMMA-CHYMOTRYPSIN D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
分子名称: D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID, GAMMA CHYMOTRYPSIN, SULFATE ION
著者Stoll, V.S, Eger, B.T, Hynes, R.C, Martichonok, V, Jones, J.B, Pai, E.F.
登録日1997-05-01
公開日1997-11-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Biochemistry, 37, 1998
6TJQ
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BU of 6tjq by Molmil
Crystal Structure of Recombinant GBA in Complex with 2-Deoxy-2-fluoro-beta-D-glucopyranoside
分子名称: (2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rowland, R.J, Davies, G.J.
登録日2019-11-26
公開日2020-06-10
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献A baculoviral system for the production of human beta-glucocerebrosidase enables atomic resolution analysis.
Acta Crystallogr D Struct Biol, 76, 2020
8B0F
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CryoEM structure of C5b8-CD59
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, CALCIUM ION, ...
著者Bubeck, D, Couves, E.C, Gardner, S.
登録日2022-09-07
公開日2023-02-22
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for membrane attack complex inhibition by CD59.
Nat Commun, 14, 2023
4UDK
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BU of 4udk by Molmil
Crystal structure of b-1,4-mannopyranosyl-chitobiose phosphorylase at 1.76 Angstrom from unknown human gut bacteria (Uhgb_MP) in complex with N-acetyl-D-glucosamine, beta-D-mannopyranose and inorganic phosphate
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose, GLYCEROL, ...
著者Ladeveze, S, Cioci, G, Potocki-Veronese, G, Tranier, S, Mourey, L.
登録日2014-12-10
公開日2015-05-27
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Bases for N-Glycan Processing by Mannoside Phosphorylase.
Acta Crystallogr.,Sect.D, 71, 2015
7ERO
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BU of 7ero by Molmil
Crystal structure of D-allulose 3-epimerase with D-allulose from Agrobacterium sp. SUL3
分子名称: D-psicose, D-tagatose 3-epimerase, MAGNESIUM ION
著者Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
登録日2021-05-06
公開日2022-05-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform
Adv Sci, 2024
9NWF
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BU of 9nwf by Molmil
Structure of an inactive beta-D-glucuronate dehydratase mutant in complex with chondrosine
分子名称: Glucuronate dehydratase, IODIDE ION, beta-D-glucopyranuronic acid-(1-3)-2-amino-2-deoxy-beta-D-galactopyranose
著者Boraston, A.B, Alvarez, B, Canil, O.
登録日2025-03-22
公開日2025-06-04
最終更新日2025-06-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Analysis of chondroitin degradation by components of a Bacteroides caccae polysaccharide utilization locus.
J.Biol.Chem., 2025
6LX2
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BU of 6lx2 by Molmil
Potato D-enzyme complexed with CA26
分子名称: 4-alpha-glucanotransferase, chloroplastic/amyloplastic, 4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose-(1-4)-4-deoxy-alpha-D-glucopyranose, ...
著者Unno, H, Imamura, K.
登録日2020-02-10
公開日2020-08-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Structural analysis and reaction mechanism of the disproportionating enzyme (D-enzyme) from potato.
Protein Sci., 29, 2020
7ERN
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BU of 7ern by Molmil
Crystal structure of D-allulose 3-epimerase with D-fructose from Agrobacterium sp. SUL3
分子名称: D-fructose, D-tagatose 3-epimerase, MAGNESIUM ION
著者Zhu, Z.L, Miyakawa, T, Tanokura, M, Lu, F.P, Qin, H.-M.
登録日2021-05-06
公開日2022-05-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Growth-Coupled Evolutionary Pressure Improving Epimerases for D-Allulose Biosynthesis Using a Biosensor-Assisted In Vivo Selection Platform
Adv Sci, 2024
6Q1D
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BU of 6q1d by Molmil
Holo YfeA reconstituted by zinc soaking
分子名称: Periplasmic chelated iron-binding protein YfeA, ZINC ION
著者Radka, C.D, Labiuk, S.L, DeLucas, L.J, Aller, S.G.
登録日2019-08-03
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structures of the substrate-binding protein YfeA in apo and zinc-reconstituted holo forms.
Acta Crystallogr D Struct Biol, 75, 2019
8BJU
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BU of 8bju by Molmil
HUMAN WEE1 KINASE IN COMPLEX WITH INHIBITOR 1-[6-(1-Hydroxy-1-methyl-ethyl)-pyridin-2-yl]-2-(2-methoxy-phenyl)-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
分子名称: 2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase
著者Musil, D, Lan, R.
登録日2022-11-06
公開日2023-05-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
6Q1C
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BU of 6q1c by Molmil
Apo YfeA extracted from the E. coli periplasm
分子名称: Periplasmic chelated iron-binding protein YfeA
著者Radka, C.D, Labiuk, S.L, DeLucas, L.J, Aller, S.G.
登録日2019-08-03
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structures of the substrate-binding protein YfeA in apo and zinc-reconstituted holo forms.
Acta Crystallogr D Struct Biol, 75, 2019
7OGI
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BU of 7ogi by Molmil
Human Cyclophilin D in complex with N-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-8-yl)-7methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
分子名称: DIMETHYL SULFOXIDE, N-(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)-7-methyl-2-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide, Peptidyl-prolyl cis-trans isomerase F, ...
著者Silva, D.O, Graedler, U, Bandeiras, T.M.
登録日2021-05-06
公開日2022-06-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.01 Å)
主引用文献Human Cyclophilin D in complex with N-(5-ethyl-4-oxo-1,2,3,4,5,6-hexahydro-1,5-benzodiazocin-8-yl)-7methyl-2-oxo-1H,2H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
To Be Published
8BJT
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BU of 8bjt by Molmil
Structure of human PLK1 in complex with 2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
分子名称: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
著者Musil, D, Liu-Bujalski, L.
登録日2022-11-06
公開日2023-04-26
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.188 Å)
主引用文献Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
8D95
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BU of 8d95 by Molmil
Scaffold Hopping via Ring Opening Enables Identification of Acyclic Compounds as New Complement Factor D Inhibitors
分子名称: Complement factor D, N-(6-bromopyridin-2-yl)-1-[(3-cyanophenyl)acetyl]-L-prolinamide
著者Raman, K, Babu, Y.S.
登録日2022-06-09
公開日2022-11-02
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.166 Å)
主引用文献Scaffold hopping via ring opening enables identification of acyclic compounds as new complement Factor D inhibitors.
Bioorg.Med.Chem., 74, 2022
8B54
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BU of 8b54 by Molmil
CDK2/cyclin A2 in complex with pyrazolo[4,3-d]pyrimidine inhibitor LGR6768
分子名称: 1,2-ETHANEDIOL, Cyclin-A2, Cyclin-dependent kinase 2, ...
著者Djukic, S, Skerlova, J, Rezacova, P.
登録日2022-09-21
公開日2023-03-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Characterization of new highly selective pyrazolo[4,3-d]pyrimidine inhibitor of CDK7.
Biomed Pharmacother, 161, 2023
7AM6
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BU of 7am6 by Molmil
Crystal structure of Peptiligase mutant - L217H/M222P/A225N/F189W
分子名称: D(-)-TARTARIC ACID, GLYCEROL, LEU-PRO-GLU-GLY-SER-PRO-VAL-THR-ASP-LEU-ARG-TYR, ...
著者Rozeboom, H.J, Janssen, D.J.
登録日2020-10-08
公開日2021-02-17
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献From thiol-subtilisin to omniligase: Design and structure of a broadly applicable peptide ligase.
Comput Struct Biotechnol J, 19, 2021
7P0A
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BU of 7p0a by Molmil
CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH LCMV-DERIVED GP33 PEPTIDE with D-AMINOACID (p3P6f)
分子名称: Beta-2-microglobulin, CHLORIDE ION, H-2 class I histocompatibility antigen, ...
著者Broggini, L, Ricagno, S.
登録日2021-06-29
公開日2022-03-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.429 Å)
主引用文献l- to d-Amino Acid Substitution in the Immunodominant LCMV-Derived Epitope gp33 Highlights the Sensitivity of the TCR Recognition Mechanism for the MHC/Peptide Structure and Dynamics.
Acs Omega, 7, 2022
8RSD
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BU of 8rsd by Molmil
Thaumatin measured via serial crystallography from a kapton HARE-chip (125 micron)
分子名称: D(-)-TARTARIC ACID, Thaumatin I
著者Bosman, R, Prester, A, von Soosten, L, Dibenedetto, S, Bartels, K, Sung, S, von Stetten, D, Mehrabi, P, Schulz, E.C.
登録日2024-01-24
公開日2024-12-04
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Kapton-based HARE chips for fixed-target serial crystallography
To Be Published
7P0T
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BU of 7p0t by Molmil
CRYSTAL STRUCTURE OF THE MURINE CLASS I MAJOR HISTOCOMPATIBILITY COMPLEX H-2DB IN COMPLEX WITH LCMV-DERIVED GP33 PEPTIDE with D-AMINOACID
分子名称: Beta-2-microglobulin, CHLORIDE ION, Derived peptide gp33-41 from LCMV, ...
著者Broggini, L, Ricagno, S.
登録日2021-06-30
公開日2022-03-23
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.605 Å)
主引用文献l- to d-Amino Acid Substitution in the Immunodominant LCMV-Derived Epitope gp33 Highlights the Sensitivity of the TCR Recognition Mechanism for the MHC/Peptide Structure and Dynamics.
Acs Omega, 7, 2022
8EJX
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BU of 8ejx by Molmil
Crystal structure of human cyclophilin D (CypD) with in complex with the covalently bound Ebselen inhibitor
分子名称: N-phenyl-2-selanylbenzamide, Peptidyl-prolyl cis-trans isomerase F, mitochondrial
著者Lovell, S, Battaile, K.P, Yan, S.
登録日2022-09-19
公開日2023-10-18
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献New cyclophilin D inhibitor rescues mitochondrial and cognitive function in Alzheimer's disease.
Brain, 147, 2024
7A8Y
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X-ray crystal structure of Aspartate alpha-decarboxylase in complex with D-Serine
分子名称: 1,2-ETHANEDIOL, Aspartate 1-decarboxylase, D-SERINE, ...
著者Yorke, B.A, Raskar, T.
登録日2020-08-31
公開日2021-10-06
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structure and diffusive dynamics of aspartate alpha-decarboxylase (ADC) liganded with D-serine in aqueous solution.
Phys Chem Chem Phys, 2022

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件を2025-07-09に公開中

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