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5ZPW
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BU of 5zpw by Molmil
Generation of a long-acting fusion inhibitor against HIV-1
分子名称: MET-THR-TRP-GLU-GLU-TRP-ASP-MK8-LYS-ILE-GLU-MK8-TYR-THR-MK8-LYS-ILE-GLU-MK8-LEU-ILE-LYS-LYS-SER, Transmembrane protein gp41
著者Guo, Y, Shi, X.L.
登録日2018-04-16
公開日2019-03-06
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.199 Å)
主引用文献Generation of a long-acting fusion inhibitor against HIV-1.
Medchemcomm, 9, 2018
8JHH
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BU of 8jhh by Molmil
Glycoside hydrolase family 55 endo-beta-1,3-glucanase from Microdochium nivale
分子名称: GLYCEROL, MnLam55A
著者Ota, T, Saburi, W, Yamashita, K, Tagami, T, Yu, J, Komba, S, Jewell, L.E, Hsiang, T, Imai, R, Yao, M, Mori, H.
登録日2023-05-23
公開日2024-04-03
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Molecular mechanism for endo-type action of glycoside hydrolase family 55 endo-beta-1,3-glucanase on beta 1-3/1-6-glucan.
J.Biol.Chem., 299, 2023
5WJ6
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BU of 5wj6 by Molmil
Crystal structure of glutaminase C in complex with inhibitor 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide (UPGL-00004)
分子名称: 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
著者Huang, Q, Cerione, R.A.
登録日2017-07-21
公開日2018-01-10
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.445 Å)
主引用文献Characterization of the interactions of potent allosteric inhibitors with glutaminase C, a key enzyme in cancer cell glutamine metabolism.
J. Biol. Chem., 293, 2018
5WC9
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BU of 5wc9 by Molmil
Human Pit-1 and 4xCATT DNA complex
分子名称: DNA (5'-D(*CP*CP*AP*TP*TP*CP*AP*TP*TP*CP*AP*TP*TP*CP*AP*TP*TP*CP*GP*GP*A)-3'), DNA (5'-D(*CP*CP*GP*AP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*GP*AP*AP*TP*GP*GP*T)-3'), Pituitary-specific positive transcription factor 1
著者Agarwal, S, Cho, T.Y.
登録日2017-06-29
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献Biochemical and structural characterization of a novel cooperative binding mode by Pit-1 with CATT repeats in the macrophage migration inhibitory factor promoter.
Nucleic Acids Res., 46, 2018
5IJJ
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BU of 5ijj by Molmil
Structure of the SPX domain of Chaetomium thermophilum Glycerophosphodiester Phosphodiesterase 1 in complex with inositol hexakisphosphate (InsP6)
分子名称: 1,2-ETHANEDIOL, ACETATE ION, INOSITOL HEXAKISPHOSPHATE, ...
著者Wild, R, Hothorn, M.
登録日2016-03-02
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Control of eukaryotic phosphate homeostasis by inositol polyphosphate sensor domains.
Science, 352, 2016
5MHS
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BU of 5mhs by Molmil
T1L reovirus sigma1 complexed with 5C6 Fab fragments
分子名称: 5C6 Fab heavy chain, 5C6 Fab light chain, Outer capsid protein sigma-1
著者Stehle, T, Dietrich, M.H.
登録日2016-11-25
公開日2016-12-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Structural Insights into Reovirus sigma 1 Interactions with Two Neutralizing Antibodies.
J. Virol., 91, 2017
3KPW
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BU of 3kpw by Molmil
Crystal Structure of hPNMT in Complex AdoHcy and 1-Aminoisoquinoline
分子名称: ISOQUINOLIN-1-AMINE, Phenylethanolamine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Drinkwater, N, Martin, J.L.
登録日2009-11-17
公開日2010-09-29
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
Biochem.J., 431, 2010
4ZHE
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BU of 4zhe by Molmil
Crystal structure of the SeMet substituted Topless related protein 2 (TPR2) N-terminal domain (1-209) from rice
分子名称: ASPR2 protein
著者Ke, J, Ma, H, Gu, X, Brunzelle, J.S, Xu, H.E, Melcher, K.
登録日2015-04-24
公開日2015-08-05
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural basis for recognition of diverse transcriptional repressors by the TOPLESS family of corepressors.
Sci Adv, 1, 2015
5K0R
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BU of 5k0r by Molmil
Crystal structure of reduced Shewanella Yellow Enzyme 4 (SYE4)
分子名称: 1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL, NAD(P)H:flavin oxidoreductase Sye4, Octadecane
著者Elegheert, J, Brige, A, Savvides, S.N.
登録日2016-05-17
公開日2017-06-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structural dissection of Shewanella oneidensis old yellow enzyme 4 bound to a Meisenheimer complex and (nitro)phenolic ligands.
FEBS Lett., 591, 2017
4ZFB
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BU of 4zfb by Molmil
Cytochrome P450 pentamutant from BM3 bound to Palmitic Acid
分子名称: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
著者Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
登録日2015-04-21
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
6H1O
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BU of 6h1o by Molmil
Structure of the BM3 heme domain in complex with voriconazole
分子名称: 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
著者Jeffreys, L.N, Munro, A.W.M, Leys, D.
登録日2018-07-12
公開日2019-02-20
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.734 Å)
主引用文献Novel insights into P450 BM3 interactions with FDA-approved antifungal azole drugs.
Sci Rep, 9, 2019
6H6Z
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BU of 6h6z by Molmil
GI.1 human norovirus protruding domain in complex with Nano-62
分子名称: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody (VHH) Nano-62, ...
著者Kilic, T, Hansman, G.S.
登録日2018-07-30
公開日2018-12-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.085 Å)
主引用文献Structural Basis of Nanobodies Targeting the Prototype Norovirus.
J. Virol., 93, 2019
6QC5
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BU of 6qc5 by Molmil
Ovine respiratory complex I FRC closed class 1
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
著者Letts, J.A, Sazanov, L.A.
登録日2018-12-26
公開日2019-08-21
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
9J1U
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BU of 9j1u by Molmil
Structural basis of the bifunctionality of M. salinexigens ZYF650T glucosylglycerol phosphorylase in glucosylglycerol catabolism
分子名称: 1-O-phosphono-alpha-D-glucopyranose, GLYCEROL, SODIUM ION, ...
著者Lu, D, Ma, H.L.
登録日2024-08-05
公開日2025-09-10
実験手法X-RAY DIFFRACTION (2.72 Å)
主引用文献Structural basis of the bifunctionality of Marinobacter salinexigens ZYF650 T glucosylglycerol phosphorylase in glucosylglycerol catabolism.
J.Biol.Chem., 301, 2025
4ZFA
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BU of 4zfa by Molmil
Cytochrome P450 wild type from BM3 with bound PEG
分子名称: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
著者Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
登録日2015-04-21
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.765 Å)
主引用文献Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
5WV3
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BU of 5wv3 by Molmil
Crystal structure of bovine lactoperoxidase with a partial Glu258-heme linkage at 2.07 A resolution.
分子名称: 1-(OXIDOSULFANYL)METHANAMINE, 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Singh, P.K, Sirohi, H.V, Kaur, P, Sharma, S, Singh, T.P.
登録日2016-12-21
公開日2017-02-15
最終更新日2025-03-12
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structural basis of activation of mammalian heme peroxidases
Prog. Biophys. Mol. Biol., 133, 2018
3KKS
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BU of 3kks by Molmil
Crystal structure of catalytic core domain of BIV integrase in crystal form II
分子名称: ACETATE ION, GLYCEROL, Integrase
著者Shen, Y.
登録日2009-11-06
公開日2010-09-22
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structures of catalytic core domain of BIV integrase: implications for the interaction between integrase and target DNA
Protein Cell, 1, 2010
4ZF6
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Cytochrome P450 pentamutant from BM3 with bound PEG
分子名称: 1,2-ETHANEDIOL, Bifunctional P-450/NADPH-P450 reductase, NICKEL (II) ION, ...
著者Rogers, W.E, Othman, T, Heidary, D.K, Huxford, T.
登録日2015-04-21
公開日2016-07-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.773 Å)
主引用文献Effect of Mutation and Substrate Binding on the Stability of Cytochrome P450BM3 Variants.
Biochemistry, 55, 2016
6T8Y
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BU of 6t8y by Molmil
NAD+-dependent fungal formate dehydrogenase from Chaetomium thermophilum: A complex with the reduced form of the cofactor NADH and the substrate formate at a secondary site.
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DI(HYDROXYETHYL)ETHER, ...
著者Isupov, M.N, Yelmazer, B, De Rose, S.A, Littlechild, J.A.
登録日2019-10-25
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Structural insights into the NAD + -dependent formate dehydrogenase mechanism revealed from the NADH complex and the formate NAD + ternary complex of the Chaetomium thermophilum enzyme.
J.Struct.Biol., 212, 2020
5N2F
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BU of 5n2f by Molmil
Structure of PD-L1/small-molecule inhibitor complex
分子名称: 4-[[4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-phenyl]methoxy]-2,5-bis(fluoranyl)phenyl]methylamino]-3-oxidanylidene-butanoic acid, Programmed cell death 1 ligand 1
著者Guzik, K, Zak, K.M, Grudnik, P, Dubin, G, Holak, T.A.
登録日2017-02-07
公開日2017-06-28
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1.
J. Med. Chem., 60, 2017
9KU6
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BU of 9ku6 by Molmil
Crystal structure of the complex of lactoperoxidase with nitric oxide at 1.72 A resolution
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, CALCIUM ION, ...
著者Maurya, A, Sharma, P, Sharma, S, Singh, T.P.
登録日2024-12-03
公開日2024-12-18
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structure of the complex of lactoperoxidase with nitric oxide at 1.72 A resolution
To Be Published
5K8K
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Structure of the Haemophilus influenzae LpxH-lipid X complex
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, ACETATE ION, GLYCEROL, ...
著者Cho, J, Lee, C.-J, Zhou, P.
登録日2016-05-30
公開日2016-08-10
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Structure of the essential Haemophilus influenzae UDP-diacylglucosamine pyrophosphohydrolase LpxH in lipid A biosynthesis.
Nat Microbiol, 1, 2016
5XD0
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BU of 5xd0 by Molmil
Apo Structure of Beta-1,3-1,4-glucanase from Paenibacillus sp.X4
分子名称: DI(HYDROXYETHYL)ETHER, Glucanase, TRIETHYLENE GLYCOL
著者Baek, S.C, Ho, T.-H, Kang, L.-W, Kim, H.
登録日2017-03-24
公開日2017-04-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Improvement of enzyme activity of beta-1,3-1,4-glucanase from Paenibacillus sp. X4 by error-prone PCR and structural insights of mutated residues.
Appl. Microbiol. Biotechnol., 101, 2017
5KA6
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BU of 5ka6 by Molmil
HIV-1 gp41 variant Q552R and L555M resistance mutations
分子名称: Transmembrane protein gp41
著者Bhardwaj, A, Khasnis, M.D, Halkidis, K, Root, M.J.
登録日2016-06-01
公開日2016-12-14
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Receptor Activation of HIV-1 Env Leads to Asymmetric Exposure of the gp41 Trimer.
PLoS Pathog., 12, 2016
3LLS
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BU of 3lls by Molmil
Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from Mycobacterium tuberculosis
分子名称: 1,2-ETHANEDIOL, 3-ketoacyl-(Acyl-carrier-protein) reductase, SULFATE ION
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2010-01-29
公開日2010-02-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015

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