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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
Descriptor: 3-(BUTYLSULPHONYL)-PROPANOIC ACID, CITRIC ACID, TERTIARY-BUTYL ALCOHOL, ...
Authors:Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K.
Deposit date:2007-10-24
Release date:2008-02-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: CITRIC ACID, N-acetyl-alpha-D-glucosaminyl L-malate deacetylase 1, SODIUM ION, ...
Authors:Cook, P.D, Meloche, C.E.
Deposit date:2019-05-22
Release date:2020-01-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.853 Å)
Cite: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
Descriptor: GLYCOSOMAL TRIOSEPHOSPHATE ISOMERASE, SULFATE ION
Authors:Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K.
Deposit date:2007-10-24
Release date:2008-02-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite: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.
Descriptor: 2-PHOSPHOGLYCOLIC ACID, CHLORIDE ION, GLYCOSOMAL TRIOSEPHOSPHATE ISOMERASE
Authors:Alahuhta, M, Salin, M, Casteleijn, M.G, Kemmer, C, El-Sayed, I, Augustyns, K, Neubauer, P, Wierenga, R.K.
Deposit date:2007-10-24
Release date:2008-02-19
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: 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, ...
Authors:Andersen, J.F, Strayer, E.C.
Deposit date:2022-10-01
Release date:2023-08-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.31 Å)
Cite: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
Descriptor: 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, ...
Authors:Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W.
Deposit date:2023-09-06
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite: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
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Holliday junction ATP-dependent DNA helicase RuvB, MAGNESIUM ION, ...
Authors:Shen, Z.F, Rish, A.D, Fu, T.M.
Deposit date:2022-09-10
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite: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
Descriptor: 49-mer DNA, 51-mer DNA, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Shen, Z.F, Rish, A.D, Fu, T.M.
Deposit date:2022-09-09
Release date:2023-05-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite: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
Descriptor: 7-DEAZA-7-AMINOMETHYL-GUANINE, MAGNESIUM ION, RNA (34-MER) Riboswitch
Authors:Wedekind, J.E, Schroeder, G.M, Jenkins, J.L.
Deposit date:2022-11-29
Release date:2023-02-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: Pmu1a toxin
Authors:Daly, N.L, Wilson, D.T.
Deposit date:2022-12-07
Release date:2023-03-29
Last modified:2023-08-02
Method:SOLUTION NMR
Cite: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
Descriptor: DI(HYDROXYETHYL)ETHER, Main Protease, SULFATE ION
Authors:Ornelas, E, Knapp, M.S.
Deposit date:2023-01-23
Release date:2023-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.12 Å)
Cite: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
Descriptor: GLUCOSAMINE--FRUCTOSE-6-PHOSPHATE AMINOTRANSFERASE
Authors:Mouilleron, S, Golinelli-Pimpaneau, B.
Deposit date:2007-10-30
Release date:2008-03-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite: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
Descriptor: HIRUDIN VARIANT, THROMBIN
Authors:Tulinsky, A, Zhang, E.
Deposit date:1996-09-09
Release date:1997-01-27
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: CADMIUM ION, CALCIUM ION, COPPER (II) ION, ...
Authors:Qin, L, Hiser, C, Mulichak, A, Garavito, R.M, Ferguson-Miller, S.
Deposit date:2006-04-26
Release date:2006-10-10
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Calcium/calmodulin-dependent protein kinase type II subunit alpha, ...
Authors:Ozden, C, Stratton, M.M, Garman, S.C.
Deposit date:2020-10-28
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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)
Descriptor: 1,2-ETHANEDIOL, Calcium/calmodulin-dependent protein kinase type II subunit alpha, Glutamate receptor ionotropic, ...
Authors:Ozden, C, Stratton, M.M, Garman, S.C.
Deposit date:2020-10-28
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: ACETYL GROUP, Hypothetical shikimate 5-dehydrogenase-like protein HI0607
Authors:Korolev, S, Koroleva, O, Zarembinski, T, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2003-01-20
Release date:2003-07-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.75 Å)
Cite: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
Descriptor: EXFOLIATVE TOXIN A, GLYCINE
Authors:Vath, G.M, Earhart, C.A, Rago, J.V, Kim, M.H, Bohach, G.A, Schlievert, P.M, Ohlendorf, D.H.
Deposit date:1996-10-22
Release date:1998-02-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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.
Descriptor: 3,5,3'TRIIODOTHYRONINE, Isoform Alpha-1 of Thyroid hormone receptor alpha
Authors:Romartinez-Alonso, B, Fairall, L, Agostini, M, Chatterjee, K, Schwabe, J.
Deposit date:2021-11-30
Release date:2022-01-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite: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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ...
Authors:Haataja, T, Sandgren, M, Stahlberg, J.
Deposit date:2021-04-26
Release date:2022-03-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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)
Descriptor: 5'-nucleotidase, CALCIUM ION, ZINC ION, ...
Authors:Strater, N.
Deposit date:2021-12-08
Release date:2022-02-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite: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.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT (II) ION, Exoglucanase 1, ...
Authors:Haataja, T, Sandgren, M, Stahlberg, J.
Deposit date:2021-03-23
Release date:2022-03-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.09 Å)
Cite: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
Descriptor: 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, ...
Authors:Kadirvelraj, R, Wood, Z.A.
Deposit date:2020-05-26
Release date:2020-10-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.47 Å)
Cite: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
Descriptor: 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, ...
Authors:Tonozuka, T.
Deposit date:2022-05-01
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, T4 LYSOZYME
Authors:Hurley, J.H, Matthews, B.W.
Deposit date:1991-11-12
Release date:1993-04-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design and structural analysis of alternative hydrophobic core packing arrangements in bacteriophage T4 lysozyme.
J.Mol.Biol., 224, 1992

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