2X90
| Crystal structure of AnCE-enalaprilat complex | 分子名称: | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | 著者 | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | 登録日 | 2010-03-14 | 公開日 | 2010-06-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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7L1Y
| Unlocking the structural features for the exo-xylobiosidase activity of an unusual GH11 member identified in a compost-derived consortium-xylobiose complex | 分子名称: | 1,2-ETHANEDIOL, Exo-B-1,4-beta-xylanase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose | 著者 | Kadowaki, M.A.S, Polikarpov, I, Briganti, L, Evangelista, D.E. | 登録日 | 2020-12-15 | 公開日 | 2021-07-28 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Unlocking the structural features for the xylobiohydrolase activity of an unusual GH11 member identified in a compost-derived consortium. Biotechnol.Bioeng., 118, 2021
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6PUM
| Structure of human MAIT A-F7 TCR in complex with human MR1-2'D-5-OP-RU | 分子名称: | 1,2-dideoxy-1-({2,6-dioxo-5-[(E)-(2-oxopropylidene)amino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-erythro-pentitol, Beta-2-microglobulin, GLYCEROL, ... | 著者 | Awad, W, Keller, A.N, Rossjohn, J. | 登録日 | 2019-07-18 | 公開日 | 2020-02-19 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | The molecular basis underpinning the potency and specificity of MAIT cell antigens. Nat.Immunol., 21, 2020
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4XOB
| Crystal structure of a FimH*DsF complex from E.coli K12 with bound heptyl alpha-D-mannopyrannoside | 分子名称: | FimF, Protein FimH, SULFATE ION, ... | 著者 | Jakob, R.P, Eras, J, Navarra, G, Ernst, B, Glockshuber, R, Maier, T. | 登録日 | 2015-01-16 | 公開日 | 2016-01-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.003 Å) | 主引用文献 | Catch-bond mechanism of the bacterial adhesin FimH. Nat Commun, 7, 2016
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7FDZ
| Levansucrase from Brenneria sp. EniD 312 with sucrose | 分子名称: | 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | 著者 | Xu, W, Hou, X.D, Rao, Y.J, Pijning, T, Guskov, A, Mu, W.M. | 登録日 | 2021-07-19 | 公開日 | 2022-04-20 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Crystal Structure of Levansucrase from the Gram-Negative Bacterium Brenneria Provides Insights into Its Product Size Specificity. J.Agric.Food Chem., 70, 2022
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5BR1
| CRYSTAL STRUCTURE OF AN ABC TRANSPORTER SOLUTE BINDING PROTEIN (IPR025997) FROM AGROBACTERIUM VITIS S4 (Avi_5305, TARGET EFI-511224) WITH BOUND ALPHA-D-GALACTOSAMINE | 分子名称: | 2-amino-2-deoxy-alpha-D-galactopyranose, ABC transporter, binding protein | 著者 | Yadava, U, Vetting, M.W, Al Obaidi, N.F, Toro, R, Morisco, L.L, Benach, J, Wasserman, S.R, Attonito, J.D, Scott Glenn, A, Chamala, S, Chowdhury, S, Lafleur, J, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | 登録日 | 2015-05-29 | 公開日 | 2015-06-10 | 最終更新日 | 2023-11-15 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structure of an ABC transporter solute-binding protein specific for the amino sugars glucosamine and galactosamine. Acta Crystallogr.,Sect.F, 72, 2016
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2X8Z
| Crystal structure of AnCE-captopril complex | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, L-CAPTOPRIL, ... | 著者 | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | 登録日 | 2010-03-14 | 公開日 | 2010-06-02 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | 主引用文献 | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs. J.Mol.Biol., 400, 2010
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4XVS
| Crystal structure of HIV-1 donor 45 d45-01dG5 coreE gp120 with antibody 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 (VRC07_1995) | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 45-VRC01.H01+07.O-863513/45-VRC01.L01+07.O-110653 Light chain, Donor 45 01dG5 coreE gp120, ... | 著者 | Joyce, M.G, Mascola, J.R, Kwong, P.D. | 登録日 | 2015-01-27 | 公開日 | 2015-05-06 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | 主引用文献 | Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection. Cell, 161, 2015
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6PTU
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5F37
| Crystal structure of human KDM4A in complex with compound 58 | 分子名称: | 1,2-ETHANEDIOL, 3H-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.22 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5BQM
| Crystal structure of SXN101959, a Clostridium botulinum neurotoxin type D derivative and targeted secretion inhibitor | 分子名称: | Botulinum neurotoxin type D, Somatoliberin,Botulinum neurotoxin type D, ZINC ION | 著者 | Masuyer, G, Davies, J.R, Moore, K, Chaddock, J.A, Acharya, K.R. | 登録日 | 2015-05-29 | 公開日 | 2015-08-19 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | 主引用文献 | Structural analysis of Clostridium botulinum neurotoxin type D as a platform for the development of targeted secretion inhibitors. Sci Rep, 5, 2015
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7F5G
| The crystal structure of RBD-Nanobody complex, DL4 (SA4) | 分子名称: | ACETATE ION, GLYCEROL, Nanobody DL4, ... | 著者 | Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D. | 登録日 | 2021-06-22 | 公開日 | 2022-05-25 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Isolation, characterization, and structure-based engineering of a neutralizing nanobody against SARS-CoV-2. Int.J.Biol.Macromol., 209, 2022
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8QH4
| Crystal structure of reduced respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to oxidized 3-acetylpyridine adenine dinucleotide | 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, 3-ACETYLPYRIDINE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, ... | 著者 | Wohlwend, D, Friedrich, T. | 登録日 | 2023-09-06 | 公開日 | 2024-04-03 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | 主引用文献 | Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I. Structure, 32, 2024
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7L0L
| Cryo-EM structure of the VRC316 clinical trial, vaccine-elicited, human antibody 316-310-1B11 in complex with an H2 CAN05 HA trimer | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 316-310-1B11 Heavy Chain, 316-310-1B11 Light Chain, ... | 著者 | Gorman, J, Kwong, P.D. | 登録日 | 2020-12-11 | 公開日 | 2021-11-03 | 最終更新日 | 2022-03-09 | 実験手法 | ELECTRON MICROSCOPY (2.85 Å) | 主引用文献 | A single residue in influenza virus H2 hemagglutinin enhances the breadth of the B cell response elicited by H2 vaccination. Nat Med, 28, 2022
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8QH7
| Crystal structure of respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to reduced 3-acetylpyridine adenine dinucleotide (without reducing agent) | 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, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETYL PYRIDINE ADENINE DINUCLEOTIDE, ... | 著者 | Wohlwend, D, Friedrich, T. | 登録日 | 2023-09-06 | 公開日 | 2024-04-03 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I. Structure, 32, 2024
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5F32
| Crystal structure of human KDM4A in complex with compound 40 | 分子名称: | 1,2-ETHANEDIOL, 8-(2-azanyl-1,3-thiazol-4-yl)-3~{H}-pyrido[3,4-d]pyrimidin-4-one, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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8QHK
| Crystal structure of reduced respiratory Complex I subunits NuoEF from Aquifex aeolicus bound to reduced 3-acetylpyridine adenine dinucleotide | 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, ACETYL PYRIDINE ADENINE DINUCLEOTIDE, REDUCED, ... | 著者 | Wohlwend, D, Friedrich, T, Bucka, S. | 登録日 | 2023-09-08 | 公開日 | 2024-04-03 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Structures of 3-acetylpyridine adenine dinucleotide and ADP-ribose bound to the electron input module of respiratory complex I. Structure, 32, 2024
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6TT0
| Crystal structure of a potent and reversible dual binding site Acetylcholinesterase chiral inhibitor | 分子名称: | (1~{R},3~{S})-~{N}-(6,7-dimethoxy-2-oxidanylidene-chromen-3-yl)-3-[(phenylmethyl)amino]cyclohexane-1-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | 著者 | de la Mora, E, Mangiatordi, G.F, Belviso, B.D, Caliandro, R, Colletier, J.P, Catto, M. | 登録日 | 2019-12-22 | 公開日 | 2020-06-10 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.80003023 Å) | 主引用文献 | Chiral Separation, X-ray Structure, and Biological Evaluation of a Potent and Reversible Dual Binding Site AChE Inhibitor. Acs Med.Chem.Lett., 11, 2020
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5F3C
| Crystal structure of human KDM4A in complex with compound 52d | 分子名称: | 8-[4-[2-[(4-fluorophenyl)methyl-methyl-amino]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | 著者 | Le Bihan, Y.-V, Westwood, I.M, van Montfort, R.L.M. | 登録日 | 2015-12-02 | 公開日 | 2016-01-20 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.06 Å) | 主引用文献 | 8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors. J.Med.Chem., 59, 2016
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5JLT
| The crystal structure of the bacteriophage T4 MotA C-terminal domain in complex with dsDNA reveals a novel protein-DNA recognition motif | 分子名称: | DNA (5'-D(*GP*AP*AP*GP*CP*TP*TP*TP*GP*CP*TP*TP*AP*AP*TP*AP*AP*TP*CP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*GP*AP*TP*TP*AP*TP*TP*AP*AP*GP*CP*AP*AP*AP*GP*CP*TP*TP*C)-3'), Middle transcription regulatory protein motA | 著者 | Cuypers, M.G, Robertson, R.M, Knipling, L, Hinton, D.M, White, S.W. | 登録日 | 2016-04-27 | 公開日 | 2017-05-03 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (2.955 Å) | 主引用文献 | The phage T4 MotA transcription factor contains a novel DNA binding motif that specifically recognizes modified DNA. Nucleic Acids Res., 46, 2018
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6DW3
| SAMHD1 Bound to Cytarabine-TP in the Catalytic Pocket | 分子名称: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | 著者 | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | 登録日 | 2018-06-26 | 公開日 | 2018-10-10 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2X72
| CRYSTAL STRUCTURE OF THE CONSTITUTIVELY ACTIVE E113Q,D2C,D282C RHODOPSIN MUTANT WITH BOUND GALPHACT PEPTIDE. | 分子名称: | 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, ACETATE ION, DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, ... | 著者 | Standfuss, J, Edwards, P.C, Dantona, A, Fransen, M, Xie, G, Oprian, D.D, Schertler, G.F.X. | 登録日 | 2010-02-22 | 公開日 | 2011-03-16 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | The Structural Basis of Agonist Induced Activation in Constitutively Active Rhodopsin Nature, 471, 2011
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4XQZ
| Calcium(II) and copper(II) bound to the Z-DNA form of d(CGCGCG), complexed by chloride and MES | 分子名称: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... | 著者 | Rohner, M, Medina-Molner, A, Spingler, B. | 登録日 | 2015-01-20 | 公開日 | 2016-01-27 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.151 Å) | 主引用文献 | N,N,O and N,O,N Meridional cis Coordination of Two Guanines to Copper(II) by d(CGCGCG)2. Inorg.Chem., 55, 2016
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6PVE
| Structure of Nicotinamide N-Methyltransferase (NNMT) in complex with inhibitor LL319 | 分子名称: | 9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine, NNMT protein | 著者 | Noinaj, N, Huang, R, Chen, D, Yadav, R. | 登録日 | 2019-07-20 | 公開日 | 2019-11-27 | 最終更新日 | 2024-03-13 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Novel Propargyl-Linked Bisubstrate Analogues as Tight-Binding Inhibitors for NicotinamideN-Methyltransferase. J.Med.Chem., 62, 2019
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7F5H
| The crystal structure of RBD-Nanobody complex, DL28 (SC4) | 分子名称: | GLYCEROL, Nanobody DL28, PHOSPHATE ION, ... | 著者 | Luo, Z.P, Li, T, Lai, Y, Zhou, Y, Tan, J, Li, D. | 登録日 | 2021-06-22 | 公開日 | 2022-06-29 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (3 Å) | 主引用文献 | Structural Characterization of a Neutralizing Nanobody With Broad Activity Against SARS-CoV-2 Variants. Front Microbiol, 13, 2022
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