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5TKW
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BU of 5tkw by Molmil
1.35 Angstrom Resolution Crystal Structure of a Pullulanase-specific Type II Secretion System Integral Cytoplasmic Membrane Protein GspL (N-terminal fragment; residues 1-237) from Klebsiella pneumoniae.
分子名称: FORMIC ACID, Type II secretion system protein L
著者Minasov, G, Shuvalova, L, Kiryukhina, O, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2016-10-09
公開日2016-10-19
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献1.35 Angstrom Resolution Crystal Structure of a Pullulanase-specific Type II Secretion System Integral Cytoplasmic Membrane Protein GspL (N-terminal fragment; residues 1-237) from Klebsiella pneumoniae.
To Be Published
7MBF
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BU of 7mbf by Molmil
codeinone reductase isoform 1.3 Apo form
分子名称: NADPH-dependent codeinone reductase 1-3
著者Carr, S.C, Ng, K.K.S.
登録日2021-03-31
公開日2021-09-29
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural studies of codeinone reductase reveal novel insights into aldo-keto reductase function in benzylisoquinoline alkaloid biosynthesis.
J.Biol.Chem., 297, 2021
6GYR
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Transcription factor dimerization activates the p300 acetyltransferase
分子名称: Histone acetyltransferase p300, ZINC ION, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate
著者Panne, D, Ortega, E.
登録日2018-07-01
公開日2018-10-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Transcription factor dimerization activates the p300 acetyltransferase.
Nature, 562, 2018
6Q6N
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BU of 6q6n by Molmil
Crystal structure of recombinant human beta-glucocerebrosidase in complex with biphenyl-cyclophellitol inhibitor (ME655)
分子名称: (1~{S},3~{S},4~{R},6~{R})-2,3,4,6-tetrakis(oxidanyl)-5-[[4-[3-(4-phenylphenoxy)propyl]-1,2,3-triazol-1-yl]methyl]cyclohexan-1-olate, 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Rowland, R.J, Davies, G.J.
登録日2018-12-11
公開日2019-03-27
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Functionalized Cyclophellitols Are Selective Glucocerebrosidase Inhibitors and Induce a Bona Fide Neuropathic Gaucher Model in Zebrafish.
J.Am.Chem.Soc., 141, 2019
9J25
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BU of 9j25 by Molmil
Structural basis of the bifunctionality of M. salinexigens ZYF650T glucosylglycerol phosphorylase in glucosylglycerol catabolism
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
著者Lu, D, Ma, H.L.
登録日2024-08-06
公開日2025-09-03
実験手法X-RAY DIFFRACTION (2.74 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
9FCF
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BU of 9fcf by Molmil
Medicago truncatula 5'-ProFAR isomerase (HISN3) D57N mutant in complex with ProFAR
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, chloroplastic, CHLORIDE ION, ...
著者Witek, W, Imiolczyk, B, Ruszkowski, M.
登録日2024-05-15
公開日2024-09-04
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural, kinetic, and evolutionary peculiarities of HISN3, a plant 5'-ProFAR isomerase.
Plant Physiol Biochem., 215, 2024
6Q13
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CRYSTAL STRUCTURE OF LDHA IN COMPLEX WITH COMPOUND NCGC00420737-09 AT 2.00 A RESOLUTION
分子名称: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid, ...
著者Davies, D.R, Dranow, D.M.
登録日2019-08-02
公開日2020-09-23
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Pyrazole-Based Lactate Dehydrogenase Inhibitors with Optimized Cell Activity and Pharmacokinetic Properties.
J.Med.Chem., 63, 2020
8R8S
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BU of 8r8s by Molmil
Low pH (5.5) as-isolated MSOX movie series dataset 1 of the copper nitrite reductase (NirK) from Bradyrhizobium japonicum USDA110 [0.57 MGy]
分子名称: COPPER (II) ION, Copper-containing nitrite reductase, SULFATE ION, ...
著者Ferroni, F.M, Antonyuk, S.V, Rose, S.L, Eady, R.R, Hasnain, S.S.
登録日2023-11-29
公開日2024-07-24
最終更新日2024-08-07
実験手法X-RAY DIFFRACTION (1.11 Å)
主引用文献Spectroscopically Validated pH-dependent MSOX Movies Provide Detailed Mechanism of Copper Nitrite Reductases.
J.Mol.Biol., 436, 2024
7ZYT
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BU of 7zyt by Molmil
Crystal structure of the I318T pathogenic variant of the human dihydrolipoamide dehydrogenase
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, ...
著者Nemes-Nikodem, E, Szabo, E, Vass, K.R, Lennartz, F, Nagy, B, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
登録日2022-05-25
公開日2023-06-14
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.892 Å)
主引用文献Structural and Biochemical Investigation of Selected Pathogenic Mutants of the Human Dihydrolipoamide Dehydrogenase.
Int J Mol Sci, 24, 2023
5NHG
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Crystal structure of the human dihydrolipoamide dehydrogenase
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dihydrolipoyl dehydrogenase, ...
著者Szabo, E, Mizsei, R, Wilk, P, Zambo, Z, Torocsik, B, Weiss, M.S, Adam-Vizi, V, Ambrus, A.
登録日2017-03-21
公開日2018-05-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.27 Å)
主引用文献Crystal structures of the disease-causing D444V mutant and the relevant wild type human dihydrolipoamide dehydrogenase.
Free Radic. Biol. Med., 124, 2018
7AUM
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BU of 7aum by Molmil
Yeast Diphosphoinositol Polyphosphate Phosphohydrolase DDP1 in complex with 5-PCF2Am-InsP5
分子名称: (1,1-difluoro-2-oxo-2-{[(1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl]amino}ethyl)phosphonic acid, Diphosphoinositol polyphosphate phosphohydrolase DDP1
著者Marquez-Monino, M.A, Gonzalez, B.
登録日2020-11-03
公開日2021-05-19
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Multiple substrate recognition by yeast diadenosine and diphosphoinositol polyphosphate phosphohydrolase through phosphate clamping.
Sci Adv, 7, 2021
6VSZ
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Crystal structure of a human afucosylated IgG1 Fc expressed in tobacco plants (Nicotiana benthamiana)
分子名称: Immunoglobulin gamma-1 heavy chain, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[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
著者Tolbert, W.D, Pazgier, M.
登録日2020-02-12
公開日2021-02-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Enhanced Ability of Plant-Derived PGT121 Glycovariants To Eliminate HIV-1-Infected Cells.
J.Virol., 95, 2021
8SVT
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BU of 8svt by Molmil
Crystal structure of pregnane X receptor ligand binding domain in complex with SJPYT-331
分子名称: DIMETHYL SULFOXIDE, Nuclear receptor subfamily 1 group I member 2, Nuclear receptor coactivator 1 fusion protein,Nuclear receptor coactivator 1, ...
著者Garcia-Maldonado, E, Huber, A.D, Nithianantham, S, Miller, D.J, Chen, T.
登録日2023-05-17
公開日2024-05-15
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Chemical manipulation of an activation/inhibition switch in the nuclear receptor PXR.
Nat Commun, 15, 2024
8TEE
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BU of 8tee by Molmil
Crystal structure of Kindlin2 in complex with K794Q mutated beta1 integrin
分子名称: Fermitin family homolog 2, Integrin beta-1
著者Zhang, P.F, Wu, J.H.
登録日2023-07-06
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Acetyl-NPKY of integrin-beta 1 binds KINDLIN2 to control endothelial cell proliferation and junctional integrity.
Iscience, 27, 2024
8ZE6
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BU of 8ze6 by Molmil
Crystal structure of MjHKU4r-CoV-1 RBD bound to MjDPP4
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, Dipeptidyl peptidase 4, ...
著者Yang, M, Li, Z, Xu, Y, Zhang, S.
登録日2024-05-04
公開日2024-10-30
最終更新日2025-05-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for human DPP4 receptor recognition by a pangolin MERS-like coronavirus.
Plos Pathog., 20, 2024
9FCN
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BU of 9fcn by Molmil
OPR3 loop swap variant L6(AchrOYE4) in complex with NADPH4
分子名称: 1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE, 12-oxophytodienoate reductase 3,Old yellow enzyme OYE4, FLAVIN MONONUCLEOTIDE
著者Bijelic, A, Kerschbaumer, B, Macheroux, P.
登録日2024-05-15
公開日2025-05-28
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Insights into the complexity of coenzyme specificity in ene-reductases
To Be Published
5N9L
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BU of 5n9l by Molmil
Crystal structure of human Protein kinase CK2 catalytic subunit in complex with the ATP-competitive dibenzofuran inhibitor TF (4b)
分子名称: (4~{Z})-6,7-bis(chloranyl)-4-[[(4-methylphenyl)amino]methylidene]-8-oxidanyl-1,2-dihydrodibenzofuran-3-one, ACETATE ION, Casein kinase II subunit alpha, ...
著者Schnitzler, A, Gratz, A, Bollacke, A, Weyrich, M, Kucklaender, U, Wuensch, B, Goetz, C, Niefind, K, Jose, J.
登録日2017-02-25
公開日2018-02-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献A pi-Halogen Bond of Dibenzofuranones with the Gatekeeper Phe113 in Human Protein Kinase CK2 Leads to Potent Tight Binding Inhibitors.
Pharmaceuticals, 11, 2018
4ZH0
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BU of 4zh0 by Molmil
Structure of Helicobacter pylori adhesin BabA determined by SeMet SAD
分子名称: Outer membrane protein-adhesin
著者Howard, T.D, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H.
登録日2015-04-24
公開日2015-08-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA.
Sci Adv, 1, 2015
5X3H
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BU of 5x3h by Molmil
The Y81G mutant of the UNG crystal structure from Nitratifractor salsuginis
分子名称: Uracil-DNA glycosylase
著者Xie, W, Chen, R, Cao, W, Zhang, Z.
登録日2017-02-06
公開日2017-10-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献An unconventional family 1 uracil DNA glycosylase in Nitratifractor salsuginis.
FEBS J., 284, 2017
5NK4
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Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 2c
分子名称: 1,2-ETHANEDIOL, 2-[[3-[[(4~{R})-3,3-bis(fluoranyl)piperidin-4-yl]carbamoyl]phenyl]amino]-~{N}-(2-chloranyl-6-methyl-phenyl)-1,3-thiazole-5-carboxamide, Ephrin type-A receptor 2
著者Kudlinzki, D, Linhard, V.L, Witt, K, Gande, S.L, Saxena, K, Heinzlmeir, S, Medard, G, Kuester, B, Schwalbe, H.
登録日2017-03-31
公開日2017-06-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Chemoproteomics-Aided Medicinal Chemistry for the Discovery of EPHA2 Inhibitors.
ChemMedChem, 12, 2017
5XH7
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Crystal structure of the Acidaminococcus sp. BV3L6 Cpf1 RR variant in complex with crRNA and target DNA (TCCA PAM)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, CRISPR-associated endonuclease Cpf1, ...
著者Nishimasu, H, Yamano, T, Ishitani, R, Nureki, O.
登録日2017-04-19
公開日2017-06-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for the Altered PAM Recognition by Engineered CRISPR-Cpf1
Mol. Cell, 67, 2017
6FD2
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BU of 6fd2 by Molmil
Radical SAM 1,2-diol dehydratase AprD4 in complex with its substrate paromamine
分子名称: 5'-DEOXYADENOSINE, IRON/SULFUR CLUSTER, METHIONINE, ...
著者Liu, W.Q, Amara, P, Mouesca, J.M, Ji, X, Renoux, O, Martin, L, Zhang, C, Zhang, Q, Nicolet, Y.
登録日2017-12-21
公開日2018-01-17
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献1,2-Diol Dehydration by the Radical SAM Enzyme AprD4: A Matter of Proton Circulation and Substrate Flexibility.
J. Am. Chem. Soc., 140, 2018
5U0M
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Fatty aldehyde dehydrogenase from Marinobacter aquaeolei VT8 and cofactor complex
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, N-succinylglutamate 5-semialdehyde dehydrogenase, ...
著者Shi, K, Mulliner, K, Barney, B.M, Aihara, H.
登録日2016-11-24
公開日2017-04-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.075 Å)
主引用文献Five Fatty Aldehyde Dehydrogenase Enzymes from Marinobacter and Acinetobacter spp. and Structural Insights into the Aldehyde Binding Pocket.
Appl. Environ. Microbiol., 83, 2017
6HHP
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BU of 6hhp by Molmil
Ternary complex of Estrogen Receptor alpha peptide and 14-3-3 sigma C42 mutant bound to disulfide fragment PPI stabilizer 1
分子名称: (1~{R})-2-(4-chloranylphenoxy)-2-methyl-1-[methyl(2-sulfanylethyl)amino]propan-1-ol, 14-3-3 protein sigma, Estrogen receptor, ...
著者Sijbesma, E, Hallenbeck, K.K, Leysen, S, Arkin, M.R, Ottmann, C.
登録日2018-08-28
公開日2019-02-27
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Site-Directed Fragment-Based Screening for the Discovery of Protein-Protein Interaction Stabilizers.
J. Am. Chem. Soc., 141, 2019
8KH9
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Crystal structure of FGFR4(V550M) kinase domain with 8z
分子名称: 1,2-ETHANEDIOL, 1-[4-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-5-cyano-pyridin-2-yl]-3-[6-methanoyl-5-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3-(2-morpholin-4-ylethoxy)pyridin-2-yl]urea, Fibroblast growth factor receptor 4, ...
著者Lin, Q.M, Chen, X.J, Chen, Y.H.
登録日2023-08-21
公開日2024-07-31
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Discovery of 6-Formylpyridyl Urea Derivatives as Potent Reversible-Covalent Fibroblast Growth Factor Receptor 4 Inhibitors with Improved Anti-Hepatocellular Carcinoma Activity.
J.Med.Chem., 67, 2024

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