9BXY
 
 | | CRYSTAL STRUCTURE OF HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH DL-III-117 | | 分子名称: | (3S,5R)-1-[4-(1-carbamimidoyl-L-prolyl)piperazine-1-carbonyl]-N-(4-chloro-3-fluorophenyl)-5-(hydroxymethyl)piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | 著者 | Tolbert, W.D, Niu, L, Pazgier, M. | | 登録日 | 2024-05-23 | | 公開日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (2.11 Å) | | 主引用文献 | Optimization of a Piperidine CD4-Mimetic Scaffold Sensitizing HIV-1 Infected Cells to Antibody-Dependent Cellular Cytotoxicity.
Acs Med.Chem.Lett., 15, 2024
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9BXD
 | | CRYSTAL STRUCTURE OF HIV-1 LM/HS CLADE A/E CRF01 GP120 CORE IN COMPLEX WITH HZ-IV-188 | | 分子名称: | (3S)-1-(4-L-arginylpiperazine-1-carbonyl)-N-(4-chloro-3-fluorophenyl)piperidine-3-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Niu, L, Tolbert, W.D, Pazgier, M. | | 登録日 | 2024-05-22 | | 公開日 | 2025-04-02 | | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | | 主引用文献 | Optimization of a Piperidine CD4-Mimetic Scaffold Sensitizing HIV-1 Infected Cells to Antibody-Dependent Cellular Cytotoxicity.
Acs Med.Chem.Lett., 15, 2024
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5L4N
 | | Leishmania major Pteridine reductase 1 (PTR1) in complex with compound 1 | | 分子名称: | (2~{R})-2-(3-hydroxyphenyl)-6-oxidanyl-2,3-dihydrochromen-4-one, 1,2-ETHANEDIOL, ACETATE ION, ... | | 著者 | Dello Iacono, L, Di Pisa, F, Pozzi, C, Landi, G, Mangani, S. | | 登録日 | 2016-05-26 | | 公開日 | 2017-03-22 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Chroman-4-One Derivatives Targeting Pteridine Reductase 1 and Showing Anti-Parasitic Activity.
Molecules, 22, 2017
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4UAU
 | | Crystal structure of CbbY (mutant D10N) from Rhodobacter sphaeroides in complex with Xylulose-(1,5)bisphosphate, crystal form II | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Protein CbbY, ... | | 著者 | Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M. | | 登録日 | 2014-08-11 | | 公開日 | 2014-12-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
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5TW9
 | | 1.50 Angstrom Crystal Structure of C-terminal Fragment (residues 322-384) of Iron Uptake System Component EfeO from Yersinia pestis. | | 分子名称: | 1,2-ETHANEDIOL, IODIDE ION, Iron uptake system component EfeO | | 著者 | Minasov, G, Shuvalova, L, Flores, K, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2016-11-11 | | 公開日 | 2016-11-30 | | 最終更新日 | 2024-03-06 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 1.50 Angstrom Crystal Structure of C-terminal Fragment (residues 322-384) of Iron Uptake System Component EfeO from Yersinia pestis.
To Be Published
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6Y3C
 | | Human COX-1 Crystal Structure | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, Prostaglandin G/H synthase 1, ... | | 著者 | Miciaccia, M, Belviso, B.D, Iaselli, M, Ferorelli, S, Perrone, M.G, Caliandro, R, Scilimati, A. | | 登録日 | 2020-02-18 | | 公開日 | 2020-02-26 | | 最終更新日 | 2024-10-16 | | 実験手法 | X-RAY DIFFRACTION (3.361 Å) | | 主引用文献 | Three-dimensional structure of human cyclooxygenase (hCOX)-1.
Sci Rep, 11, 2021
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5JBI
 | | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC52 and manganese | | 分子名称: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ... | | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | 登録日 | 2016-04-13 | | 公開日 | 2016-08-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
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6GMB
 | | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate | | 分子名称: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCOLIC ACID, ... | | 著者 | MacKinnon, S, Bezerra, G.A, Krojer, T, Smee, C, Arrowsmith, C.H, Edwards, E, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W, Structural Genomics Consortium (SGC) | | 登録日 | 2018-05-24 | | 公開日 | 2018-06-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | | 主引用文献 | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate
To Be Published
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5DU6
 | | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK059A. | | 分子名称: | (5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | | 著者 | Cox, J.A.G, Besra, G.S, Futterer, K. | | 登録日 | 2015-09-18 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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7STZ
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5JO0
 | | Structure of Plasmodium falciparum DXR in complex with a beta-substituted fosmidomycin analogue, LC56 and manganese | | 分子名称: | 1,2-ETHANEDIOL, 1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic, ... | | 著者 | Sooriyaarachchi, S, Bergfors, T, Jones, T.A, Mowbray, S.L. | | 登録日 | 2016-05-01 | | 公開日 | 2016-08-24 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Targeting an Aromatic Hotspot in Plasmodium falciparum 1-Deoxy-d-xylulose-5-phosphate Reductoisomerase with beta-Arylpropyl Analogues of Fosmidomycin.
Chemmedchem, 11, 2016
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4UAT
 | | Crystal structure of CbbY (mutant D10N) from Rhodobacter sphaeroides in complex with Xylulose-(1,5)bisphosphate, crystal form I | | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MAGNESIUM ION, Protein CbbY, ... | | 著者 | Bracher, A, Sharma, A, Starling-Windhof, A, Hartl, F.U, Hayer-Hartl, M. | | 登録日 | 2014-08-11 | | 公開日 | 2014-12-31 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.3 Å) | | 主引用文献 | Degradation of potent Rubisco inhibitor by selective sugar phosphatase.
Nat.Plants, 1, 2015
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6S6W
 | | Crystal Structure of human ALDH1A3 in complex with 2,6-diphenylimidazo[1,2-a]pyridine (compound GA11) and NAD+ | | 分子名称: | 2,6-diphenylimidazo[1,2-a]pyridine, Aldehyde dehydrogenase family 1 member A3, GLYCEROL, ... | | 著者 | Gelardi, E.L.M, Quattrini, L, LaMotta, C, Ferraris, D.M, Garavaglia, S. | | 登録日 | 2019-07-03 | | 公開日 | 2020-04-22 | | 最終更新日 | 2025-10-01 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Imidazo[1,2-a]pyridine Derivatives as Aldehyde Dehydrogenase Inhibitors: Novel Chemotypes to Target Glioblastoma Stem Cells.
J.Med.Chem., 63, 2020
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5J89
 | | Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor | | 分子名称: | 1,2-ETHANEDIOL, N-{2-[({2-methoxy-6-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]pyridin-3-yl}methyl)amino]ethyl}acetamide, Programmed cell death 1 ligand 1 | | 著者 | Zak, K.M, Grudnik, P, Guzik, K, Zieba, B.J, Musielak, B, Doemling, P, Dubin, G, Holak, T.A. | | 登録日 | 2016-04-07 | | 公開日 | 2016-04-27 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural basis for small molecule targeting of the programmed death ligand 1 (PD-L1).
Oncotarget, 7, 2016
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6HMG
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) | | 分子名称: | (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ... | | 著者 | Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J. | | 登録日 | 2018-09-12 | | 公開日 | 2018-09-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.27 Å) | | 主引用文献 | From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
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6KVL
 | | Crystal structure of UDP-RebB-SrUGT76G1 | | 分子名称: | (8alpha,9beta,10alpha,13alpha)-13-{[beta-D-glucopyranosyl-(1->2)-[beta-D-glucopyranosyl-(1->3)]-beta-D-glucopyranosyl]oxy}kaur-16-en-18-oic acid, UDP-glycosyltransferase 76G1, URIDINE-5'-DIPHOSPHATE | | 著者 | Li, J.X, Liu, Z.F, Wang, Y, Zhang, P. | | 登録日 | 2019-09-04 | | 公開日 | 2019-11-20 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.998 Å) | | 主引用文献 | Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Plant Commun., 1, 2020
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6HAK
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with a double stranded RNA represents the RT transcription initiation complex prior to nucleotide incorporation | | 分子名称: | Gag-Pol polyprotein, MAGNESIUM ION, RNA (5'-R(P*AP*GP*UP*GP*GP*CP*GP*GP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*C)-3'), ... | | 著者 | Das, K, Martinez, S.E, Arnold, E. | | 登録日 | 2018-08-07 | | 公開日 | 2019-04-03 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (3.95 Å) | | 主引用文献 | Structure of HIV-1 RT/dsRNA initiation complex prior to nucleotide incorporation.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7C5N
 | | Crystal Structure of C150A+H177A mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli at 2.0 Angstrom resolution | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, ... | | 著者 | Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N. | | 登録日 | 2020-05-20 | | 公開日 | 2021-05-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.99 Å) | | 主引用文献 | Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
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7C5I
 | | Crystal Structure of C150A mutant of Glyceraldehyde-3-phosphate-dehydrogenase1 from Escherichia coli complexed with PO4 at 2.49 Angstrom resolution | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, Glyceraldehyde-3-phosphate dehydrogenase, ... | | 著者 | Zhang, L, Liu, M.R, Bao, L.Y, Yao, Y.C, Bostrom, I.K, Wang, Y.D, Chen, A.Q, Li, J.X, Gu, S.H, Ji, C.N. | | 登録日 | 2020-05-20 | | 公開日 | 2021-05-26 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Novel Structures of Type 1 Glyceraldehyde-3-phosphate Dehydrogenase from Escherichia coli Provide New Insights into the Mechanism of Generation of 1,3-Bisphosphoglyceric Acid.
Biomolecules, 11, 2021
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6E5Y
 | | 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase from Bordetella pertussis in Complex with AMP. | | 分子名称: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Argininosuccinate synthase, ... | | 著者 | Minasov, G, Shuvalova, L, Dubrovska, I, Cardona-Correa, A, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2018-07-23 | | 公開日 | 2018-08-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | 1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase from Bordetella pertussis in Complex with AMP.
To Be Published
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9IZL
 | | hVanin-1 complexed with X17 | | 分子名称: | 8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3-thiazol-5-yl]methanone, Pantetheinase | | 著者 | Fan, S, Zhen, L, Xie, T. | | 登録日 | 2024-08-01 | | 公開日 | 2024-12-04 | | 最終更新日 | 2024-12-11 | | 実験手法 | X-RAY DIFFRACTION (2.28 Å) | | 主引用文献 | Discovery of Thiazole Carboxamides as Novel Vanin-1 Inhibitors for Inflammatory Bowel Disease Treatment.
J.Med.Chem., 67, 2024
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5DU4
 | | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK366A | | 分子名称: | (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide, Probable enoyl-CoA hydratase echA6 | | 著者 | Cox, J.A.G, Besra, G.S, Futterer, K. | | 登録日 | 2015-09-18 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.702 Å) | | 主引用文献 | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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6AOZ
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5DUF
 | | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK729A | | 分子名称: | (5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid, Probable enoyl-CoA hydratase echA6 | | 著者 | Cox, J.A.G, Besra, G.S, Futterer, K. | | 登録日 | 2015-09-18 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | THPP target assignment reveals EchA6 as an essential fatty acid shuttle in mycobacteria.
Nat Microbiol, 1, 2016
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4UMX
 | | IDH1 R132H in complex with cpd 1 | | 分子名称: | 2,6-bis(1H-imidazol-1-ylmethyl)-4-(2,4,4-trimethylpentan-2-yl)phenol, GLYCEROL, ISOCITRATE DEHYDROGENASE [NADP] CYTOPLASMIC, ... | | 著者 | Mathieu, M, Marquette, J.P. | | 登録日 | 2014-05-22 | | 公開日 | 2014-11-19 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Selective Inhibition of Mutant Isocitrate Dehydrogenase 1 (Idh1) Via Disruption of a Metal Binding Network by an Allosteric Small Molecule.
J.Biol.Chem., 290, 2015
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