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6MMO
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BU of 6mmo by Molmil
Carbon regulatory PII-like protein SbtB from Cyanobium sp. 7001 bound to AMP
分子名称: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Carbon regulatory PII-like protein SbtB, ...
著者Kaczmarski, J.A, Jackson, C.
登録日2018-10-01
公開日2019-09-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
6G2B
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BU of 6g2b by Molmil
X-ray structure of NSD3-PWWP1 in complex with compound 8
分子名称: 4-(3-methyl-5-phenyl-imidazol-4-yl)pyridine, Histone-lysine N-methyltransferase NSD3
著者Boettcher, J, Muellauer, B.J, Weiss-Puxbaum, A, Zoephel, A.
登録日2018-03-22
公開日2019-06-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3.
Nat.Chem.Biol., 15, 2019
5HAI
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BU of 5hai by Molmil
P99 beta-lactamase mutant - S64G
分子名称: Beta-lactamase, PHOSPHATE ION
著者Stojanoski, V, Adamski, C.J, Hu, L, Mehta, S.C, Sankaran, B, Prasad, B.V.V, Palzkill, T.G.
登録日2015-12-30
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Removal of the Side Chain at the Active-Site Serine by a Glycine Substitution Increases the Stability of a Wide Range of Serine beta-Lactamases by Relieving Steric Strain.
Biochemistry, 55, 2016
6UP1
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BU of 6up1 by Molmil
Triosephosphate isomerase deficiency: Effect of F240L mutation on enzyme structure
分子名称: ISOPROPYL ALCOHOL, Triosephosphate isomerase
著者Romero, J.M.
登録日2019-10-16
公開日2020-07-01
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Triosephosphate isomerase deficiency: Effect of F240L mutation on enzyme structure.
Arch.Biochem.Biophys., 689, 2020
6MIH
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BU of 6mih by Molmil
Crystal structure of host-guest complex with PC hachimoji DNA
分子名称: DNA (5'-D(*CP*TP*TP*AP*(1WA)P*CP*(DB)P*T)-3'), DNA (5'-D(P*AP*(DS)P*GP*(1W5)P*TP*AP*AP*G)-3'), N-terminal fragment of MMLV reverse transcriptase
著者Georgiadis, M.M.
登録日2018-09-19
公開日2019-02-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Hachimoji DNA and RNA: A genetic system with eight building blocks.
Science, 363, 2019
8KAQ
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BU of 8kaq by Molmil
Glycoside hydrolase family 1 beta-glucosidase (E318G mutant) from Streptomyces griseus (sophorose complex)
分子名称: CHLORIDE ION, Putative beta-glucosidase, TRIETHYLENE GLYCOL, ...
著者Kumakura, H, Motouchi, S, Nakai, H, Nakajima, M.
登録日2023-08-03
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Identification of beta-1,2-glucan-associated glycoside hydrolase family 1 beta-glucosidase from Streptomyces griseus
To Be Published
6URX
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BU of 6urx by Molmil
Crystal structure of ricin A chain in complex with inhibitor 5-phenyl-2-thiophenecarboxylic acid
分子名称: 1,2-ETHANEDIOL, 5-phenylthiophene-2-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Harijan, R.K, Li, X.P, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L.
登録日2019-10-24
公開日2020-06-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Small Molecule Inhibitors Targeting the Interaction of Ricin Toxin A Subunit with Ribosomes.
Acs Infect Dis., 6, 2020
6XS8
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BU of 6xs8 by Molmil
Crystal structure of Chaetomium thermophilum Vps29 complexed with RaPID-derived cyclic peptide RT-D3
分子名称: 48V-DTY-GLY-TYR-ASP-PRO-LEU-GLY-LEU-LYS-TYR-PHE-ALA, Vacuolar protein sorting-associated protein 29
著者Chen, K.-E, Guo, Q, Collins, B.M.
登録日2020-07-15
公開日2021-07-14
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.95009851 Å)
主引用文献De novo macrocyclic peptides for inhibiting, stabilizing, and probing the function of the retromer endosomal trafficking complex.
Sci Adv, 7, 2021
6US1
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BU of 6us1 by Molmil
Barrier-to-autointegration factor soaked in isobutanol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-24
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
5VO6
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BU of 5vo6 by Molmil
CRYSTAL STRUCTURE OF JAK3 KINASE DOMAIN IN COMPLEX WITH A PYRROLOPYRIDAZINE INHIBITOR
分子名称: 4-{[(1R,3S)-3-amino-2,2,3-trimethylcyclopentyl]amino}-6-phenylpyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3
著者Sack, J.S.
登録日2017-05-02
公開日2017-05-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of potent and efficacious pyrrolopyridazines as dual JAK1/3 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
8KCE
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BU of 8kce by Molmil
Structure of RvY_06210 at 1.05 angstrom resolution
分子名称: MAGNESIUM ION, RvY_06210, ZINC ION
著者Kato, S, Fukuda, Y, Inoue, T.
登録日2023-08-07
公開日2024-08-07
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Metabolite phosphatase from anhydrobiotic tardigrades
To Be Published
6MMQ
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BU of 6mmq by Molmil
Carbon regulatory PII-like protein SbtB from Cyanobium sp. 7001 bound to cAMP
分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Carbon regulatory PII-like protein SbtB
著者Kaczmarski, J.A, Jackson, C.
登録日2018-10-01
公開日2019-09-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Structure and function of SbtB from Cyanobium sp. 7001
Biorxiv, 2019
5DDS
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BU of 5dds by Molmil
Crystal structure of aminotransferase CrmG from Actinoalloteichus sp. WH1-2216-6 in complex with PLP
分子名称: ACETIC ACID, CrmG, GLYCEROL, ...
著者Xu, J, Feng, Z, Liu, J.
登録日2015-08-25
公開日2016-08-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Biochemical and Structural Insights into the Aminotransferase CrmG in Caerulomycin Biosynthesis
Acs Chem.Biol., 11, 2016
6US7
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BU of 6us7 by Molmil
Barrier-to-autointegration factor soaked in TMAO: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-24
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.653 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
7CHS
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BU of 7chs by Molmil
Crystal structure of SARS-CoV-2 antibody P22A-1D1 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P22A-1D1 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.401 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
6FXR
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BU of 6fxr by Molmil
Crystal Structure of full-length Human Lysyl Hydroxylase LH3 - Cocrystal with Fe2+, Mn2+, UDP-Gal
分子名称: 2-OXOGLUTARIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Scietti, L, Chiapparino, A, De Giorgi, F, Fumagalli, M, Khoriauli, L, Nergadze, S, Basu, S, Olieric, V, Banushi, B, Giulotto, E, Gissen, P, Forneris, F.
登録日2018-03-09
公開日2018-08-22
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular architecture of the multifunctional collagen lysyl hydroxylase and glycosyltransferase LH3.
Nat Commun, 9, 2018
8KAO
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BU of 8kao by Molmil
Glutamate dehydrogenase-69O
分子名称: 2-oxopentanoic acid, Glutamate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Sakuraba, H, Ohshima, T.
登録日2023-08-03
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of glutamate dehydrogenase-69O
To be published
7CHP
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BU of 7chp by Molmil
Crystal structure of SARS-CoV-2 antibody P5A-3C8 with RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P5A-3C8 heavy chain, ...
著者Wang, X, Zhang, L, Ge, J, Wang, R, Zhang, Q.
登録日2020-07-06
公開日2021-05-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.357 Å)
主引用文献Potent and protective IGHV3-53/3-66 public antibodies and their shared escape mutant on the spike of SARS-CoV-2.
Nat Commun, 12, 2021
6URL
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BU of 6url by Molmil
Barrier-to-autointegration factor soaked in isopropanol: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-23
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
8KC4
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BU of 8kc4 by Molmil
De novo design protein -NA05
分子名称: De novo design protein -NA05
著者Wang, S, Liu, Y.
登録日2023-08-06
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献De novo design protein -NA05
To Be Published
6URR
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BU of 6urr by Molmil
Barrier-to-autointegration factor soaked in Dioxane: 1 of 14 in MSCS set
分子名称: Barrier-to-autointegration factor, ETHANOL
著者Agarwal, S, Smith, M, De La Rosa, I, Kliment, A.V, Swartz, P, Segura-Totten, M, Mattos, C.
登録日2019-10-24
公開日2020-10-07
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Development of a structure-analysis pipeline using multiple-solvent crystal structures of barrier-to-autointegration factor.
Acta Crystallogr D Struct Biol, 76, 2020
6P8R
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BU of 6p8r by Molmil
Structure of P. aeruginosa ATCC27853 HORMA2
分子名称: HORMA domain containing protein, PHOSPHATE ION
著者Ye, Q, Corbett, K.D.
登録日2019-06-07
公開日2019-12-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.141 Å)
主引用文献HORMA Domain Proteins and a Trip13-like ATPase Regulate Bacterial cGAS-like Enzymes to Mediate Bacteriophage Immunity.
Mol.Cell, 77, 2020
8JY1
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BU of 8jy1 by Molmil
Structure of Mangifera Indica Epoxide hydrolase 2
分子名称: Epoxide hydrolase-2, TETRAETHYLENE GLYCOL
著者Bhoite, A.S, Gupta, V.S, Kulkarni, K.A.
登録日2023-07-02
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of Mangifera Indica Epoxide hydrolase 2
To Be Published
5VP3
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BU of 5vp3 by Molmil
Light-sensitive photoprotein
分子名称: CADMIUM ION, Mnemiopsin 1, NICKEL (II) ION, ...
著者Gorman, M.A, Parker, M.W.
登録日2017-05-04
公開日2018-05-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.151 Å)
主引用文献Reaction mechanism of the bioluminescent protein mnemiopsin1 revealed by X-ray crystallography and QM/MM simulations.
J. Biol. Chem., 294, 2019
5D5V
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BU of 5d5v by Molmil
Crystal structure of human Hsf1 with Satellite III repeat DNA
分子名称: DNA, Heat shock factor protein 1, MAGNESIUM ION
著者Neudegger, T, Verghese, J, Hayer-Hartl, M, Hartl, F.U, Bracher, A.
登録日2015-08-11
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of human heat-shock transcription factor 1 in complex with DNA.
Nat.Struct.Mol.Biol., 23, 2016

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