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1NL7
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Z. ramigera biosynthetic thiolase, acetylated enzyme complexed with CoA at pH 9.5
分子名称: Acetyl-CoA acetyltransferase, COENZYME A, SULFATE ION
著者Kursula, P, Wierenga, R.K.
登録日2003-01-06
公開日2004-04-06
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献Crystal structures of Z. ramigera biosynthetic thiolase
To be Published
7PXQ
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BU of 7pxq by Molmil
GH115 alpha-1,2-glucuronidase D303A
分子名称: CALCIUM ION, xylan alpha-1,2-glucuronidase
著者Wilkens, C, Morth, J.P, Polikarpov, I.
登録日2021-10-08
公開日2022-01-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A GH115 alpha-glucuronidase structure reveals dimerization-mediated substrate binding and a proton wire potentially important for catalysis.
Acta Crystallogr D Struct Biol, 78, 2022
5L6L
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BU of 5l6l by Molmil
Structure of Caulobacter crescentus VapBC1 bound to operator DNA
分子名称: DNA (27-MER), Ribonuclease VapC, VapB family protein
著者Bendtsen, K.L, Xu, K, Luckmann, M, Brodersen, D.E.
登録日2016-05-30
公開日2016-12-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Toxin inhibition in C. crescentus VapBC1 is mediated by a flexible pseudo-palindromic protein motif and modulated by DNA binding.
Nucleic Acids Res., 45, 2017
2RG6
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BU of 2rg6 by Molmil
Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11J
分子名称: 4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methyl-N-[(1S)-1-phenylethyl]pyrrolo[2,1-f][1,2,4]triazine-6-carboxamide, Mitogen-activated protein kinase 14
著者Sack, J.S.
登録日2007-10-02
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
7PTZ
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BU of 7ptz by Molmil
High resolution X-ray structure of E. coli expressed Lentinus similis LPMO.
分子名称: Auxiliary activity 9, CHLORIDE ION, COPPER (II) ION
著者Banerjee, S, Muderspach, S.J, Tandrup, T, Ipsen, J.O, Hernandez-Rollan, C, Norholm, H.H.M, Johansen, K.S, Lo Leggio, L.
登録日2021-09-27
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.093 Å)
主引用文献Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases.
Biomolecules, 12, 2022
7PU1
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BU of 7pu1 by Molmil
High resolution X-ray structure of Thermoascus aurantiacus LPMO
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COPPER (II) ION, ...
著者Banerjee, S, Frandsen, K.E.H, Singh, R.K, Bjerrum, M.J, Lo Leggio, L.
登録日2021-09-28
公開日2022-03-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Protonation State of an Important Histidine from High Resolution Structures of Lytic Polysaccharide Monooxygenases.
Biomolecules, 12, 2022
5LDO
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BU of 5ldo by Molmil
Crystal structure of E.coli LigT complexed with 3'-AMP
分子名称: RNA 2',3'-cyclic phosphodiesterase, [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
著者Myllykoski, M, Kursula, P.
登録日2016-06-27
公開日2017-01-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.752 Å)
主引用文献Structural aspects of nucleotide ligand binding by a bacterial 2H phosphoesterase.
PLoS ONE, 12, 2017
7Q1Y
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BU of 7q1y by Molmil
X-ray structure of human A2ML1
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, Alpha-2-macroglobulin-like protein 1, ...
著者Andersen, G.R, Zarantonello, A, Enghild, J.J, Nielsen, N.S.
登録日2021-10-22
公開日2022-04-20
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (4.4 Å)
主引用文献Cryo-EM structures of human A2ML1 elucidate the protease-inhibitory mechanism of the A2M family.
Nat Commun, 13, 2022
5LHP
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BU of 5lhp by Molmil
The p-aminobenzamidine active site inhibited catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7
分子名称: 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment, P-AMINO BENZAMIDINE, ...
著者Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A.
登録日2016-07-12
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
1OOW
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BU of 1oow by Molmil
The crystal structure of the spinach plastocyanin double mutant G8D/L12E gives insight into its low reactivity towards photosystem 1 and cytochrome f
分子名称: COPPER (II) ION, Plastocyanin, chloroplast
著者Jansson, H, Okvist, M, Jacobson, F, Ejdeback, M, Hansson, O, Sjolin, L.
登録日2003-03-04
公開日2004-02-17
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The crystal structure of the spinach plastocyanin double mutant G8D/L12E gives insight into its low reactivity towards photosystem 1 and cytochrome f.
Biochim.Biophys.Acta, 1607, 2003
7PFL
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BU of 7pfl by Molmil
The SARS-CoV2 major protease (Mpro) apo structure to 1.8 A resolution
分子名称: Replicase polyprotein 1ab, SODIUM ION
著者Moche, M, Moodie, L, Strandback, E, Nyman, T, Akaberi, D, Lennerstrand, J.
登録日2021-08-11
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution
To Be Published
7PHF
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BU of 7phf by Molmil
Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK
分子名称: Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, S-ADENOSYL-L-HOMOCYSTEINE, methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
著者Dinis, P, MetsaKetela, M.
登録日2021-08-17
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
5LHN
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BU of 5lhn by Molmil
The catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7
分子名称: 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment Nb7, SULFATE ION, ...
著者Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P, Andreasen, P.A.
登録日2016-07-12
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
7PFM
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BU of 7pfm by Molmil
A SARS-CoV2 major protease non-covalent ligand structure determined to 2.0 A resolution
分子名称: N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide, Replicase polyprotein 1ab
著者Moche, M, Moodie, L, Strandback, E, Nyman, T, Sandstrom, A, Akaberi, D, Lennerstrand, J.
登録日2021-08-11
公開日2022-08-24
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The SARS-CoV2 major protease (Mpro) in complex with a non-covalent inhibitory ligand at 2 A resolution
To Be Published
5LHQ
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BU of 5lhq by Molmil
The EGR-cmk active site inhibited catalytic domain of murine urokinase-type plasminogen activator in complex with the allosteric inhibitory nanobody Nb7
分子名称: 1,2-ETHANEDIOL, Camelid-Derived Antibody Fragment Nb7, L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide, ...
著者Kromann-Hansen, T, Lange, E.L, Sorensen, H.P, Ghassabeh, G.H, Huang, M, Jensen, J.K, Muyldermans, S, Declerck, P.J, Andreasen, P.A.
登録日2016-07-12
公開日2017-06-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of a novel conformational equilibrium in urokinase-type plasminogen activator.
Sci Rep, 7, 2017
7PHE
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BU of 7phe by Molmil
Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB and 10-decarboxylase TamK
分子名称: Carminomycin 4-O-methyltransferase DnrK,Methyltransferase domain-containing protein,Aclacinomycin 10-hydroxylase RdmB, methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
著者Dinis, P, MetsaKetela, M.
登録日2021-08-17
公開日2022-09-07
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Evolution-inspired engineering of anthracycline methyltransferases.
Pnas Nexus, 2, 2023
7PZ1
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BU of 7pz1 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH8535
分子名称: 1,2-ETHANEDIOL, 4-(4-bromanyl-2-oxidanylidene-3~{H}-benzimidazol-1-yl)-~{N}-(3-methoxy-4-methyl-phenyl)piperidine-1-carboxamide, GLYCEROL, ...
著者Scaletti, E.R, Helleday, T, Stenmark, P.
登録日2021-10-11
公開日2022-11-02
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Optimization of N-Piperidinyl-Benzimidazolone Derivatives as Potent and Selective Inhibitors of 8-Oxo-Guanine DNA Glycosylase 1.
Chemmedchem, 18, 2023
1OLR
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BU of 1olr by Molmil
The Humicola grisea Cel12A Enzyme Structure at 1.2 A Resolution
分子名称: ENDO-BETA-1,4-GLUCANASE
著者Sandgren, M, Gualfetti, P.J, Shaw, A, Gross, L.S, Saldajeno, M, Berglund, G.I, Jones, T.A, Mitchinson, C.
登録日2003-08-11
公開日2003-11-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The Humicola Grisea Cel12A Enzyme Structure at 1.2 A Resolution and the Impact of its Free Cysteine Residues on Thermal Stability
Protein Sci., 12, 2003
7Q3J
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BU of 7q3j by Molmil
Computationally designed thioredoxin subjected to stability optimizing mutations.
分子名称: GLYCEROL, MM9
著者Norrild, R.K, Johansson, K.E, O'Shea, C, Lindorff-Larsen, K, Winther, J.R, Morth, J.P.
登録日2021-10-27
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Increasing protein stability by inferring substitution effects from high-throughput experiments.
Cell Rep Methods, 2, 2022
7PX1
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BU of 7px1 by Molmil
Conotoxin from Conus mucronatus
分子名称: CADMIUM ION, Conus mucronatus, IODIDE ION
著者Mueller, E, Hackney, C.M, Ellgaard, L, Morth, J.P.
登録日2021-10-07
公開日2022-11-02
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.33 Å)
主引用文献A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3.
Plos Biol., 21, 2023
7PX2
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Conotoxin Mu8.1 from Conus mucronatus
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Conotoxin Mu8.1
著者Mueller, E, Hackney, C, Ellgaard, L, Morth, J.P.
登録日2021-10-07
公開日2022-11-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A previously unrecognized superfamily of macro-conotoxins includes an inhibitor of the sensory neuron calcium channel Cav2.3.
Plos Biol., 21, 2023
2RG5
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Phenylalanine pyrrolotriazine p38 alpha map kinase inhibitor compound 11B
分子名称: Mitogen-activated protein kinase 14, N-ethyl-4-{[5-(methoxycarbamoyl)-2-methylphenyl]amino}-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxamide
著者Sack, J.S.
登録日2007-10-02
公開日2008-01-15
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design, Synthesis, and Anti-inflammatory Properties of Orally Active 4-(Phenylamino)-pyrrolo[2,1-f][1,2,4]triazine p38alpha Mitogen-Activated Protein Kinase Inhibitors
J.Med.Chem., 51, 2008
1OVD
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BU of 1ovd by Molmil
THE K136E MUTANT OF LACTOCOCCUS LACTIS DIHYDROOROTATE DEHYDROGENASE A IN COMPLEX WITH OROTATE
分子名称: DIHYDROOROTATE DEHYDROGENASE A, FLAVIN MONONUCLEOTIDE, GLYCEROL, ...
著者Norager, S, Arent, S, Bjornberg, O, Ottosen, M, Lo Leggio, L, Jensen, K.F, Larsen, S.
登録日2003-03-26
公開日2003-08-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Lactococcus lactis dihydroorotate dehydrogenase A mutants reveal important facets of the enzymatic function.
J.Biol.Chem., 278, 2003
7Q3K
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Computationally designed thioredoxin subjected to stability optimizing mutations.
分子名称: SULFATE ION, eMM9
著者Norrild, R.K, Johansson, K.E, O'Shea, C, Lindorff-Larsen, K, Winther, J.R, Morth, J.P.
登録日2021-10-27
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Increasing protein stability by inferring substitution effects from high-throughput experiments.
Cell Rep Methods, 2, 2022
5MFW
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BU of 5mfw by Molmil
Crystal structure of the GluK1 ligand-binding domain in complex with kainate and BPAM-121 at 2.10 A resolution
分子名称: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, ...
著者Larsen, A.P, Frydenvang, K, Kastrup, J.S.
登録日2016-11-18
公開日2017-04-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Identification and Structure-Function Study of Positive Allosteric Modulators of Kainate Receptors.
Mol. Pharmacol., 91, 2017

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