8PCM
 
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 80 ms | | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION, ... | | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | 登録日 | 2023-06-11 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.84 Å) | | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
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8PCP
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 250 ms | | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION, ... | | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | 登録日 | 2023-06-11 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.76 Å) | | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
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8PCR
 | | Structure of serine-beta-lactamase CTX-M-14 following the time-resolved active site binding of boric acid and subsequent glycerol-boric acid-ester formation, 750 ms | | 分子名称: | BORATE ION, Beta-lactamase, SULFATE ION, ... | | 著者 | Prester, A, Perbandt, M, Galchenkova, M, Oberthuer, D, Yefanov, O, Hinrichs, W, Rohde, H, Betzel, C. | | 登録日 | 2023-06-11 | | 公開日 | 2024-06-26 | | 最終更新日 | 2024-07-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Time-resolved crystallography of boric acid binding to the active site serine of the beta-lactamase CTX-M-14 and subsequent 1,2-diol esterification.
Commun Chem, 7, 2024
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7AKW
 | | Crystal structure of the viral rhodopsins chimera O1O2 | | 分子名称: | EICOSANE, RETINAL, chimera of viral rhodopsins OLPVR1 and OLPVRII | | 著者 | Kovalev, K, Zabelskii, D, Alekseev, A, Astashkin, R, Gordeliy, V. | | 登録日 | 2020-10-02 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.96 Å) | | 主引用文献 | Viral rhodopsins 1 are an unique family of light-gated cation channels.
Nat Commun, 11, 2020
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7AKY
 | | Crystal structure of the viral rhodopsin OLPVR1 in P21212 space group | | 分子名称: | (2S)-2,3-dihydroxypropyl (9Z)-hexadec-9-enoate, EICOSANE, viral rhodopsin OLPVR1 | | 著者 | Kovalev, K, Zabelskii, D, Alekseev, A, Astashkin, R, Gordeliy, V. | | 登録日 | 2020-10-02 | | 公開日 | 2020-11-25 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Viral rhodopsins 1 are an unique family of light-gated cation channels.
Nat Commun, 11, 2020
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6YKP
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7S2L
 | | Crystal structure of sulfonamide resistance enzyme Sul3 apoenzyme | | 分子名称: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | 著者 | Stogios, P.J, Venkatesan, M, Michalska, K, Mesa, N, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2021-09-03 | | 公開日 | 2023-05-03 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.79 Å) | | 主引用文献 | Molecular mechanism of plasmid-borne resistance to sulfonamide antibiotics.
Nat Commun, 14, 2023
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5LRG
 | | Crystal structure of the porcine carboxypeptidase B - Anabaenopeptin B complex | | 分子名称: | Anabaenopeptin B, Carboxypeptidase B, ZINC ION | | 著者 | Schreuder, H, Liesum, A, Loenze, P. | | 登録日 | 2016-08-19 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | | 主引用文献 | Isolation, Co-Crystallization and Structure-Based Characterization of Anabaenopeptins as Highly Potent Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
Sci Rep, 6, 2016
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8T6E
 | | Crystal structure of T33-28.3: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles | | 分子名称: | T33-28.3: A, T33-28.3: B | | 著者 | Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. | | 登録日 | 2023-06-15 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (2.48 Å) | | 主引用文献 | Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6VDS
 | | Crystal Structure of Dehaloperoxidase B in Complex with cofactor Iron(III) Deuteroporphyrin IX and Substrate 4-bromo-ortho-cresol | | 分子名称: | 1,2-ETHANEDIOL, 4-bromo-2-methylphenol, Dehaloperoxidase B, ... | | 著者 | Ghiladi, R.A, de Serrano, V.S, McGuire, A, Malewschik, T. | | 登録日 | 2019-12-27 | | 公開日 | 2020-12-30 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Nonnative Heme Incorporation into Multifunctional Globin Increases Peroxygenase Activity an Order and Magnitude Compared to Native Enzyme
To Be Published
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6YL9
 | | Crystal structure of YTHDC1 with compound DHU_DC1_085 | | 分子名称: | 3-[(2~{R},5~{S})-2-(2,5-dimethylphenyl)-5-methyl-morpholin-4-yl]propane-1-sulfonamide, SULFATE ION, YTHDC1 | | 著者 | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | 登録日 | 2020-04-06 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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8T6C
 | | Crystal structure of T33-18.2: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles | | 分子名称: | T33-18.2 : A, T33-18.2 : B | | 著者 | Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. | | 登録日 | 2023-06-15 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (1.92 Å) | | 主引用文献 | Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
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5LZT
 | | Structure of the mammalian ribosomal termination complex with eRF1 and eRF3. | | 分子名称: | 18S ribosomal RNA, 28S ribosomal RNA, 5.8S ribosomal RNA, ... | | 著者 | Shao, S, Murray, J, Brown, A, Taunton, J, Ramakrishnan, V, Hegde, R.S. | | 登録日 | 2016-10-02 | | 公開日 | 2016-11-30 | | 最終更新日 | 2019-12-11 | | 実験手法 | ELECTRON MICROSCOPY (3.65 Å) | | 主引用文献 | Decoding Mammalian Ribosome-mRNA States by Translational GTPase Complexes.
Cell, 167, 2016
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5LRY
 | | E coli [NiFe] Hydrogenase Hyd-1 mutant E28D | | 分子名称: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, DODECYL-BETA-D-MALTOSIDE, ... | | 著者 | Carr, S.B, Phillips, S.E.V, Evans, R.M, Brooke, E.J, Armstrong, F.A. | | 登録日 | 2016-08-22 | | 公開日 | 2017-09-13 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Mechanistic Exploitation of a Self-Repairing, Blocked Proton Transfer Pathway in an O2-Tolerant [NiFe]-Hydrogenase.
J.Am.Chem.Soc., 140, 2018
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6USY
 | | COAGULATION FACTOR XI CATALYTIC DOMAIN (C123S) IN COMPLEX WITH NVP-XIV936 | | 分子名称: | 1-[(2S)-2-{3-[(3S)-3-amino-2,3-dihydro-1-benzofuran-5-yl]-5-(propan-2-yl)phenyl}-2-hydroxyethyl]-1H-indole-7-carboxylic acid, Coagulation factor XIa light chain | | 著者 | Weihofen, W.A, Clark, K, Nunes, S. | | 登録日 | 2019-10-28 | | 公開日 | 2020-07-01 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.26 Å) | | 主引用文献 | Structure-Based Design and Preclinical Characterization of Selective and Orally Bioavailable Factor XIa Inhibitors: Demonstrating the Power of an Integrated S1 Protease Family Approach.
J.Med.Chem., 63, 2020
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8P2Z
 | | Structure of human SIT1 bound to L-pipecolate (focussed map / refinement) | | 分子名称: | (2S)-piperidine-2-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | 著者 | Li, H.Z, Pike, A.C.W, Chi, G, Hansen, J.S, Lee, S.G, Rodstrom, K.E.J, Bushell, S.R, Speedman, D, Evans, A, Wang, D, He, D, Shrestha, L, Nasrallah, C, Chalk, R, Moreira, T, MacLean, E.M, Marsden, B, Bountra, C, Burgess-Brown, N.A, Dafforn, T.R, Carpenter, E.P, Sauer, D.B. | | 登録日 | 2023-05-16 | | 公開日 | 2024-06-12 | | 最終更新日 | 2024-07-10 | | 実験手法 | ELECTRON MICROSCOPY (3.5 Å) | | 主引用文献 | Structure and function of the SIT1 proline transporter in complex with the COVID-19 receptor ACE2.
Nat Commun, 15, 2024
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4XDO
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8T6N
 | | Crystal structure of T33-27.1: Deep-learning sequence design of co-assembling tetrahedron protein nanoparticles | | 分子名称: | T33-27.1 : A, T33-27.1 : B | | 著者 | Bera, A.K, de Haas, R.J, Kang, A, Sankaran, B, King, N.P. | | 登録日 | 2023-06-16 | | 公開日 | 2024-04-24 | | 実験手法 | X-RAY DIFFRACTION (3.63 Å) | | 主引用文献 | Rapid and automated design of two-component protein nanomaterials using ProteinMPNN.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7PGP
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8CIE
 | | Crystal structure of the human CDKL5 kinase domain with compound YL-354 | | 分子名称: | 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide, Cyclin-dependent kinase-like 5, SULFATE ION | | 著者 | Richardson, W, Chen, X, Newman, J.A, Bakshi, S, Lakshminarayana, B, Brooke, L, Bullock, A.N. | | 登録日 | 2023-02-09 | | 公開日 | 2023-06-14 | | 最終更新日 | 2024-03-27 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery of a Potent and Selective CDKL5/GSK3 Chemical Probe That Is Neuroprotective.
Acs Chem Neurosci, 14, 2023
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7TAA
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5LYF
 | | Crystal structure of 1 in complex with tafCPB | | 分子名称: | (2~{S})-6-azanyl-2-[[(2~{R})-1-[[(1~{R},2~{S},4~{S})-2-bicyclo[2.2.1]heptanyl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, Carboxypeptidase B, ZINC ION | | 著者 | Schreuder, H, Liesum, A, Loenze, P. | | 登録日 | 2016-09-28 | | 公開日 | 2016-10-26 | | 最終更新日 | 2016-12-21 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
J. Med. Chem., 59, 2016
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6YN0
 | | Structure of E. coli PBP1b with a FtsN peptide activating transglycosylase activity | | 分子名称: | Cell division protein FtsN, MOENOMYCIN, Penicillin-binding protein 1B | | 著者 | Kerff, F, Terrak, M, Boes, A, Herman, H, Charlier, P. | | 登録日 | 2020-04-10 | | 公開日 | 2020-11-04 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | The bacterial cell division protein fragment E FtsN binds to and activates the major peptidoglycan synthase PBP1b.
J.Biol.Chem., 295, 2020
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7AYN
 | | Crystal structure of the lectin domain of the FimH variant Arg98Ala, in complex with Methyl 3-chloro-4-D-mannopyranosyloxy-3-biphenylcarboxylate | | 分子名称: | 1,2-ETHANEDIOL, Type 1 fimbrin D-mannose specific adhesin, methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate | | 著者 | Jakob, R.P, Tomasic, T, Rabbani, S, Reisner, A, Jakopin, Z, Maier, T, Ernst, B, Anderluh, M. | | 登録日 | 2020-11-12 | | 公開日 | 2020-12-23 | | 最終更新日 | 2024-01-31 | | 実験手法 | X-RAY DIFFRACTION (1.42 Å) | | 主引用文献 | Does targeting Arg98 of FimH lead to high affinity antagonists?
Eur.J.Med.Chem., 211, 2020
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6YNF
 | | GAPDH purified from the supernatant of HEK293F cells: crystal form 3 of 4. | | 分子名称: | 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Glyceraldehyde-3-phosphate dehydrogenase | | 著者 | Roversi, P, Lia, A. | | 登録日 | 2020-04-13 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.394 Å) | | 主引用文献 | Partial catalytic Cys oxidation of human GAPDH to Cys-sulfonic acid.
Wellcome Open Res, 5, 2020
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