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7R4A
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BU of 7r4a by Molmil
PARP15 catalytic domain in complex with OUL188
Descriptor: 6,8-dimethyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole, DIMETHYL SULFOXIDE, Protein mono-ADP-ribosyltransferase PARP15
Authors:Murthy, S, Maksimainen, M.M, Lehtio, L.
Deposit date:2022-02-08
Release date:2023-01-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:[1,2,4]Triazolo[3,4- b ]benzothiazole Scaffold as Versatile Nicotinamide Mimic Allowing Nanomolar Inhibition of Different PARP Enzymes.
J.Med.Chem., 66, 2023
7QZJ
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BU of 7qzj by Molmil
1.55 A X-ray crystallographic structure of SapH from Streptomyces sp. (HPH0547) involved in Pseudouridimycin biosynthesis
Descriptor: 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, Aspartate aminotransferase family protein, GLYCEROL, ...
Authors:Schnell, R, Schneider, G.
Deposit date:2022-01-31
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Pseudouridine-Modifying Enzymes SapB and SapH Control Entry into the Pseudouridimycin Biosynthetic Pathway.
Acs Chem.Biol., 18, 2023
1KO8
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BU of 1ko8 by Molmil
Crystal structure of gluconate kinase
Descriptor: 6-PHOSPHOGLUCONIC ACID, Gluconate kinase, MAGNESIUM ION
Authors:Kraft, L, Sprenger, G.A, Lindqvist, Y.
Deposit date:2001-12-20
Release date:2002-05-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Conformational changes during the catalytic cycle of gluconate kinase as revealed by X-ray crystallography.
J.Mol.Biol., 318, 2002
1KNQ
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BU of 1knq by Molmil
Crystal structure of gluconate kinase
Descriptor: CHLORIDE ION, Gluconate kinase
Authors:Kraft, L, Sprenger, G.A, Lindqvist, Y.
Deposit date:2001-12-19
Release date:2002-05-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Conformational changes during the catalytic cycle of gluconate kinase as revealed by X-ray crystallography.
J.Mol.Biol., 318, 2002
6FAZ
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BU of 6faz by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with the positive allosteric modulator TDPAM01 at 1.4 A resolution.
Descriptor: 1,2-ETHANEDIOL, 6,6'-(Ethane-1,2-diyl)bis(4-methyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide), ACETATE ION, ...
Authors:Nielsen, L, Laulumaa, S, Kastrup, J.S.
Deposit date:2017-12-18
Release date:2018-11-21
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enhancing Action of Positive Allosteric Modulators through the Design of Dimeric Compounds.
J. Med. Chem., 61, 2018
9QUU
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BU of 9quu by Molmil
Triosephosphate isomerase of Rhodococcus sp. JG-3
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SODIUM ION, Triosephosphate isomerase
Authors:Nowak, J.S, Olesen, S, Baerentsen, R.
Deposit date:2025-04-11
Release date:2025-05-14
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Role of electrostatics in cold adaptation: A comparative study of eury- and stenopsychrophilic triose phosphate isomerase.
Biochim Biophys Acta Proteins Proteom, 1873, 2025
9MFI
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BU of 9mfi by Molmil
Cu-MAHF-9 A8S Metal Alpha-Helix Framework
Descriptor: COPPER (II) ION, Cu-MAHF-9 A8S
Authors:Richardson-Matthews, R.M.
Deposit date:2024-12-09
Release date:2025-05-21
Last modified:2025-06-04
Method:X-RAY DIFFRACTION (0.89 Å)
Cite:Metal-alpha-Helix Peptide Frameworks.
J.Am.Chem.Soc., 147, 2025
9MFJ
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BU of 9mfj by Molmil
Zn-MAHF-9 A8S Metal Alpha-Helix Framework
Descriptor: ZINC ION, Zn-MAHF-9 A8S
Authors:Richardson-Matthews, R.M.
Deposit date:2024-12-09
Release date:2025-05-21
Last modified:2025-06-04
Method:X-RAY DIFFRACTION (0.88 Å)
Cite:Metal-alpha-Helix Peptide Frameworks.
J.Am.Chem.Soc., 147, 2025
9MDB
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BU of 9mdb by Molmil
Co-MAHF-9 A8V Metal Alpha-Helix Framework
Descriptor: COBALT (II) ION, Co-MAHF-9 A8V
Authors:Richardson-Matthews, R.M.
Deposit date:2024-12-05
Release date:2025-05-21
Last modified:2025-06-04
Method:X-RAY DIFFRACTION (0.81 Å)
Cite:Metal-alpha-Helix Peptide Frameworks.
J.Am.Chem.Soc., 147, 2025
6T62
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BU of 6t62 by Molmil
Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Vella, P, Schnell, R, Schneider, G.
Deposit date:2019-10-17
Release date:2020-11-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
6TL6
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BU of 6tl6 by Molmil
Three dimensional structure of human carbonic anhydrase IX in complex with sulfonamide
Descriptor: Carbonic anhydrase 9, GLYCEROL, ZINC ION, ...
Authors:Leitans, J, Tars, K.
Deposit date:2019-12-01
Release date:2020-12-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Isoform-Selective Enzyme Inhibitors by Exploring Pocket Size According to the Lock-and-Key Principle.
Biophys.J., 119, 2020
6TPT
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BU of 6tpt by Molmil
Crystal structures of FNIII domain three and four of the human leucocyte common antigen-related protein, LAR
Descriptor: Receptor-type tyrosine-protein phosphatase F
Authors:Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D.
Deposit date:2019-12-14
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal and solution structures of fragments of the human leucocyte common antigen-related protein.
Acta Crystallogr D Struct Biol, 76, 2020
6TJA
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BU of 6tja by Molmil
Crystal structure of the SVS_A2 protein (W79F,G83L mutant) from ancestral sequence reconstruction at 2.27 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, SVS_variant_AS1
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-25
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6T26
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BU of 6t26 by Molmil
X-ray crystal structure of Vibrio alkaline phosphatase with the non-competitive inhibitor cyclohexylamine
Descriptor: Alkaline phosphatase, CHLORIDE ION, CYCLOHEXYLAMMONIUM ION, ...
Authors:Asgeirsson, B, Hjorleifsson, J.G, Markusson, S, Helland, R.
Deposit date:2019-10-07
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.265 Å)
Cite:X-ray crystal structure of Vibrio alkaline phosphatase with the non-competitive inhibitor cyclohexylamine.
Biochem Biophys Rep, 24, 2020
6TIV
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BU of 6tiv by Molmil
Crystal structure of the SVS_A2 protein (205-DREMH-209 /205-AQDLE-209 mutant) from ancestral sequence reconstruction at 2.38 A resolution
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, SVS variant AT2, ...
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-22
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6TJZ
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BU of 6tjz by Molmil
Crystal structure of the SVS_A2 protein (W156Y mutant) from ancestral sequence reconstruction at 2.4 A resolution
Descriptor: SVS_variant_AS3
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-27
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6THU
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BU of 6thu by Molmil
Crystal structure of the SVS_A2 protein (A224I mutant) from ancestral sequence reconstruction at 2.6 A resolution
Descriptor: SVS_AS10 variant
Authors:Rudraraju, R, Schnell, R, Schneider, G.
Deposit date:2019-11-21
Release date:2020-12-02
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering of Ancestors as a Tool to Elucidate Structure, Mechanism, and Specificity of Extant Terpene Cyclase.
J.Am.Chem.Soc., 143, 2021
6YJI
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BU of 6yji by Molmil
Structure of FgCelDH7C
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Haddad Momeni, M, Fredslund, F, Berrin, J.G, Abou Hachem, M, Welner, D.H.
Deposit date:2020-04-03
Release date:2021-03-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Discovery of fungal oligosaccharide-oxidising flavo-enzymes with previously unknown substrates, redox-activity profiles and interplay with LPMOs.
Nat Commun, 12, 2021
4TWB
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BU of 4twb by Molmil
Sulfolobus solfataricus ribose-phosphate pyrophosphokinase
Descriptor: ADENOSINE MONOPHOSPHATE, Ribose-phosphate pyrophosphokinase, SULFATE ION
Authors:Kadziola, A.
Deposit date:2014-06-30
Release date:2014-07-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Structure of dimeric, recombinant Sulfolobus solfataricus phosphoribosyl diphosphate synthase: a bent dimer defining the adenine specificity of the substrate ATP.
Extremophiles, 19, 2015
6ZCT
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BU of 6zct by Molmil
Nonstructural protein 10 (nsp10) from SARS CoV-2
Descriptor: ZINC ION, nsp10
Authors:Rogstam, A, Nyblom, M, Christensen, S, Sele, C, Lindvall, T, Rasmussen, A.A, Andre, I, Fisher, S.Z, Knecht, W, Kozielski, F.
Deposit date:2020-06-12
Release date:2020-06-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal Structure of Non-Structural Protein 10 from Severe Acute Respiratory Syndrome Coronavirus-2.
Int J Mol Sci, 21, 2020
6ZB8
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BU of 6zb8 by Molmil
Exo-beta-1,3-glucanase from moose rumen microbiome, active site mutant E167Q/E295Q
Descriptor: Exo-beta-1,3-glucanase variant E167Q/E295Q, POLYETHYLENE GLYCOL (N=34)
Authors:Kalyani, D.C, Reichenbach, T, Aspeborg, H, Divne, C.
Deposit date:2020-06-08
Release date:2021-01-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A homodimeric bacterial exo-beta-1,3-glucanase derived from moose rumen microbiome shows a structural framework similar to yeast exo-beta-1,3-glucanases.
Enzyme.Microb.Technol., 143, 2021
6YUH
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BU of 6yuh by Molmil
Crystal structure of SMYD3 with diperodon R enantiomer bound to allosteric site
Descriptor: Diperodon, GLYCEROL, Histone-lysine N-methyltransferase SMYD3, ...
Authors:Cederfelt, D, Talibov, V.O, Dobritzsch, D, Danielson, U.H.
Deposit date:2020-04-27
Release date:2021-01-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of an Allosteric Ligand Binding Site in SMYD3 Lysine Methyltransferase.
Chembiochem, 22, 2021
4WBI
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BU of 4wbi by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutations H230Q and H309Q
Descriptor: 2',3'-cyclic-nucleotide 3'-phosphodiesterase
Authors:Myllykoski, M, Raasakka, A, Kursula, P.
Deposit date:2014-09-03
Release date:2015-09-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
4UZ2
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BU of 4uz2 by Molmil
Crystal structure of the N-terminal LysM domains from the putative NlpC/P60 D,L endopeptidase from T. thermophilus
Descriptor: CELL WALL-BINDING ENDOPEPTIDASE-RELATED PROTEIN
Authors:Wong, J.E.M.M, Blaise, M.
Deposit date:2014-09-04
Release date:2015-01-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:An Intermolecular Binding Mechanism Involving Multiple Lysm Domains Mediates Carbohydrate Recognition by an Endopeptidase.
Acta Crystallogr.,Sect.D, 71, 2015
1KTV
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BU of 1ktv by Molmil
Crystal Structure of Elongation Factor G Dimer Without Nucleotide
Descriptor: ELONGATION FACTOR G
Authors:Laurberg, M, Kristensen, O, Su, X.D, Liljas, A.
Deposit date:2002-01-17
Release date:2003-12-23
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:A New Crystal Form of Thermus thermophilus Elongation Factor G Indicates Crystallographic Limitations Imposed on Molecular Flexibility
To be Published

238582

数据于2025-07-09公开中

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