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2VEK
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BU of 2vek by Molmil
Structure-based enzyme engineering efforts with an inactive monomeric TIM variant: the importance of a single point mutation for generating an active site with suitable binding properties
分子名称: 3-(BUTYLSULPHONYL)-PROPANOIC ACID, CITRIC ACID, TERTIARY-BUTYL ALCOHOL, ...
著者Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K.
登録日2007-10-24
公開日2008-02-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure-Based Protein Engineering Efforts with a Monomeric Tim Variant: The Importance of a Single Point Mutation for Generating an Active Site with Suitable Binding Properties.
Protein Eng.Des.Sel., 21, 2008
6P2T
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BU of 6p2t by Molmil
BshB from Bacillus subtilis complexed with citrate
分子名称: CITRIC ACID, N-acetyl-alpha-D-glucosaminyl L-malate deacetylase 1, SODIUM ION, ...
著者Cook, P.D, Meloche, C.E.
登録日2019-05-22
公開日2020-01-08
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.853 Å)
主引用文献X-ray crystallographic structure of BshB, the zinc-dependent deacetylase involved in bacillithiol biosynthesis.
Protein Sci., 29, 2020
2VEI
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BU of 2vei by Molmil
Structure-based enzyme engineering efforts with an inactive monomeric TIM variant: the importance of a single point mutation for generating an active site with suitable binding properties
分子名称: GLYCOSOMAL TRIOSEPHOSPHATE ISOMERASE, SULFATE ION
著者Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K.
登録日2007-10-24
公開日2008-02-19
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Structure-Based Protein Engineering Efforts with a Monomeric Tim Variant: The Importance of a Single Point Mutation for Generating an Active Site with Suitable Binding Properties.
Protein Eng.Des.Sel., 21, 2008
2VEL
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BU of 2vel by Molmil
Structure-based enzyme engineering efforts with an inactive monomeric TIM variant: the importance of a single point mutation for generating an active site with suitable binding properties.
分子名称: 2-PHOSPHOGLYCOLIC ACID, CHLORIDE ION, GLYCOSOMAL TRIOSEPHOSPHATE ISOMERASE
著者Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K.
登録日2007-10-24
公開日2008-02-19
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure-Based Protein Engineering Efforts with a Monomeric Tim Variant: The Importance of a Single Point Mutation for Generating an Active Site with Suitable Binding Properties.
Protein Eng.Des.Sel., 21, 2008
8EO2
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BU of 8eo2 by Molmil
Lufaxin a bifunctional inhibitor of complement and coagulation
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, BROMIDE ION, ...
著者Andersen, J.F, Strayer, E.C.
登録日2022-10-01
公開日2023-08-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A bispecific inhibitor of complement and coagulation blocks activation in complementopathy models via a novel mechanism.
Blood, 141, 2023
8WA3
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BU of 8wa3 by Molmil
Cryo-EM structure of peptide free and Gs-coupled GIPR
分子名称: Gastric inhibitory polypeptide receptor,Fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1,O-antigen polymerase, ...
著者Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W.
登録日2023-09-06
公開日2024-03-06
実験手法ELECTRON MICROSCOPY (2.86 Å)
主引用文献Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins.
Cell Discov, 10, 2024
8EFY
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BU of 8efy by Molmil
Structure of double homo-hexameric AAA+ ATPase RuvB motors
分子名称: ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvB, MAGNESIUM ION, ...
著者Shen, Z.F, Rish, A.D, Fu, T.M.
登録日2022-09-10
公開日2023-05-10
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献Structure of double homo-hexameric AAA+ ATPase RuvB motor binding with DNA substrate
To Be Published
8EFV
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BU of 8efv by Molmil
Structure of single homo-hexameric Holliday junction ATP-dependent DNA helicase RuvB motor
分子名称: 49-mer DNA, 51-mer DNA, ADENOSINE-5'-DIPHOSPHATE, ...
著者Shen, Z.F, Rish, A.D, Fu, T.M.
登録日2022-09-09
公開日2023-05-10
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (2.97 Å)
主引用文献Structure of single homo-hexameric Holliday junction ATP-dependent DNA helicase RuvB motor
To Be Published
8FB3
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BU of 8fb3 by Molmil
PreQ1-1 (type-1) riboswitch with stacked metabolites and a C10-G34 base pair in the expression platform
分子名称: 7-DEAZA-7-AMINOMETHYL-GUANINE, MAGNESIUM ION, RNA (34-MER) Riboswitch
著者Wedekind, J.E, Schroeder, G.M, Jenkins, J.L.
登録日2022-11-29
公開日2023-02-22
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献A riboswitch separated from its ribosome-binding site still regulates translation.
Nucleic Acids Res., 51, 2023
8FEY
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BU of 8fey by Molmil
Solution structure of Pmu1a
分子名称: Pmu1a toxin
著者Daly, N.L, Wilson, D.T.
登録日2022-12-07
公開日2023-03-29
最終更新日2023-08-02
実験手法SOLUTION NMR
主引用文献Pmu1a, a novel spider toxin with dual inhibitory activity at pain targets hNa V 1.7 and hCa V 3 voltage-gated channels.
Febs J., 290, 2023
8FWX
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BU of 8fwx by Molmil
Apo crystal structure of beluga whale Gammacoronavirus SW1 Mpro
分子名称: DI(HYDROXYETHYL)ETHER, Main Protease, SULFATE ION
著者Ornelas, E, Knapp, M.S.
登録日2023-01-23
公開日2023-03-29
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献Crystal Structures of Inhibitor-Bound Main Protease from Delta- and Gamma-Coronaviruses.
Viruses, 15, 2023
2VF4
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BU of 2vf4 by Molmil
E. coli glucosamine-6-P synthase
分子名称: GLUCOSAMINE--FRUCTOSE-6-PHOSPHATE AMINOTRANSFERASE
著者Mouilleron, S, Golinelli-Pimpaneau, B.
登録日2007-10-30
公開日2008-03-04
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Ordering of C-Terminal Loop and Glutaminase Domains of Glucosamine-6-Phosphate Synthase Promotes Sugar Ring Opening and Formation of the Ammonia Channel.
J.Mol.Biol., 377, 2008
1HXF
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BU of 1hxf by Molmil
HUMAN THROMBIN COMPLEX WITH HIRUDIN VARIANT
分子名称: HIRUDIN VARIANT, THROMBIN
著者Tulinsky, A, Zhang, E.
登録日1996-09-09
公開日1997-01-27
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The molecular environment of the Na+ binding site of thrombin.
Biophys.Chem., 63, 1997
2GSM
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BU of 2gsm by Molmil
Catalytic Core (Subunits I and II) of Cytochrome c oxidase from Rhodobacter sphaeroides
分子名称: CADMIUM ION, CALCIUM ION, COPPER (II) ION, ...
著者Qin, L, Hiser, C, Mulichak, A, Garavito, R.M, Ferguson-Miller, S.
登録日2006-04-26
公開日2006-10-10
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification of conserved lipid/detergent-binding sites in a high-resolution structure of the membrane protein cytochrome c oxidase.
Proc.Natl.Acad.Sci.Usa, 103, 2006
7KL1
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BU of 7kl1 by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ...
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2020-10-28
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
7KL0
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BU of 7kl0 by Molmil
Cocrystal structure of human CaMKII-alpha (CAMK2A)kinase domain and GluN2B(S1303D)
分子名称: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ...
著者Ozden, C, Stratton, M.M, Garman, S.C.
登録日2020-10-28
公開日2020-12-23
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献CaMKII binds both substrates and activators at the active site.
Cell Rep, 40, 2022
1NPY
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BU of 1npy by Molmil
Structure of shikimate 5-dehydrogenase-like protein HI0607
分子名称: ACETYL GROUP, Hypothetical shikimate 5-dehydrogenase-like protein HI0607
著者Korolev, S, Koroleva, O, Zarembinski, T, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2003-01-20
公開日2003-07-29
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of a Novel Shikimate Dehydrogenase from Haemophilus influenzae.
J.Biol.Chem., 280, 2005
1EXF
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BU of 1exf by Molmil
EXFOLIATIVE TOXIN A
分子名称: EXFOLIATVE TOXIN A, GLYCINE
著者Vath, G.M, Earhart, C.A, Rago, J.V, Kim, M.H, Bohach, G.A, Schlievert, P.M, Ohlendorf, D.H.
登録日1996-10-22
公開日1998-02-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of the superantigen exfoliative toxin A suggests a novel regulation as a serine protease.
Biochemistry, 36, 1997
7QDT
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BU of 7qdt by Molmil
Crystal structure of a mutant (P393GX) Thyroid Receptor Alpha ligand binding domain designed to model dominant negative human mutations.
分子名称: 3,5,3'TRIIODOTHYRONINE, Isoform Alpha-1 of Thyroid hormone receptor alpha
著者Romartinez-Alonso, B, Fairall, L, Agostini, M, Chatterjee, K, Schwabe, J.
登録日2021-11-30
公開日2022-01-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure-Guided Approach to Relieving Transcriptional Repression in Resistance to Thyroid Hormone alpha.
Mol.Cell.Biol., 42, 2022
7OC8
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BU of 7oc8 by Molmil
Trichoderma reesei Cel7A E212Q mutant in complex with pNPL
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ...
著者Haataja, T, Sandgren, M, Stahlberg, J.
登録日2021-04-26
公開日2022-03-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
7QGM
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BU of 7qgm by Molmil
Human CD73 (ecto 5'-nucleotidase) in complex with MRS4598 (a 3-methyl-CMPCP derivative, compound 16 in paper) in the closed state (crystal form III)
分子名称: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
著者Strater, N.
登録日2021-12-08
公開日2022-02-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Activity Relationship of 3-Methylcytidine-5'-alpha , beta-methylenediphosphates as CD73 Inhibitors.
J.Med.Chem., 65, 2022
7NYT
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BU of 7nyt by Molmil
Trichoderma reesei Cel7A E212Q mutant in complex with lactose.
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ...
著者Haataja, T, Sandgren, M, Stahlberg, J.
登録日2021-03-23
公開日2022-03-09
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Enzyme kinetics by GH7 cellobiohydrolases on chromogenic substrates is dictated by non-productive binding: insights from crystal structures and MD simulation.
Febs J., 290, 2023
6X5T
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BU of 6x5t by Molmil
Human Alpha-1,6-fucosyltransferase (FUT8) bound to GDP and A3-Asn
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-(1,6)-fucosyltransferase, GLYCEROL, ...
著者Kadirvelraj, R, Wood, Z.A.
登録日2020-05-26
公開日2020-10-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.47 Å)
主引用文献Characterizing human alpha-1,6-fucosyltransferase (FUT8) substrate specificity and structural similarities with related fucosyltransferases.
J.Biol.Chem., 295, 2020
7XOI
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BU of 7xoi by Molmil
Aspergillus sojae alpha-glucosidase AsojAgdL in complex with trehalose
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, SODIUM ION, ...
著者Tonozuka, T.
登録日2022-05-01
公開日2022-06-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural basis for proteolytic processing of Aspergillus sojae alpha-glucosidase L with strong transglucosylation activity.
J.Struct.Biol., 214, 2022
1L77
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BU of 1l77 by Molmil
DESIGN AND STRUCTURAL ANALYSIS OF ALTERNATIVE HYDROPHOBIC CORE PACKING ARRANGEMENTS IN BACTERIOPHAGE T4 LYSOZYME
分子名称: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
著者Hurley, J.H, Matthews, B.W.
登録日1991-11-12
公開日1993-04-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Design and structural analysis of alternative hydrophobic core packing arrangements in bacteriophage T4 lysozyme.
J.Mol.Biol., 224, 1992

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