7QOW
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![BU of 7qow by Molmil](/molmil-images/mine/7qow) | Crystal structure of Vibrio alkaline phosphatase in 1.0 M NaCl | 分子名称: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Alkaline phosphatase, ... | 著者 | Markusson, S, Hjorleifsson, J.G, Kursula, P, Asgeirsson, B. | 登録日 | 2021-12-29 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.2 Å) | 主引用文献 | Structural Characterization of Functionally Important Chloride Binding Sites in the Marine Vibrio Alkaline Phosphatase. Biochemistry, 61, 2022
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7QP8
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![BU of 7qp8 by Molmil](/molmil-images/mine/7qp8) | Crystal structure of Vibrio alkaline phosphatase with bound HEPES | 分子名称: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Alkaline phosphatase, CHLORIDE ION, ... | 著者 | Markusson, S, Hjorleifsson, J.G, Kursula, P, Asgeirsson, B. | 登録日 | 2022-01-03 | 公開日 | 2022-11-02 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Characterization of Functionally Important Chloride Binding Sites in the Marine Vibrio Alkaline Phosphatase. Biochemistry, 61, 2022
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6EXQ
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![BU of 6exq by Molmil](/molmil-images/mine/6exq) | Crystal Structure of Rhodesain in complex with a Macrolactam Inhibitor | 分子名称: | (3~{S})-19-chloranyl-~{N}-(1-cyanocyclopropyl)-8-methoxy-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(20),6(11),7,9,18,21-hexaene-3-carboxamide, 1,2-ETHANEDIOL, Cysteine protease | 著者 | Dietzel, U, Kisker, C. | 登録日 | 2017-11-08 | 公開日 | 2018-04-11 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | 主引用文献 | Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors. J. Med. Chem., 61, 2018
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3IGL
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![BU of 3igl by Molmil](/molmil-images/mine/3igl) | Diversity in DNA recognition by p53 revealed by crystal structures with Hoogsteen base pairs (p53-DNA complex 1) | 分子名称: | 1,2-ETHANEDIOL, Cellular tumor antigen p53, DNA (5'-D(*CP*GP*GP*GP*CP*AP*TP*GP*CP*CP*CP*G)-3'), ... | 著者 | Kitayner, M, Suad, O, Rozenberg, H, Shakked, Z. | 登録日 | 2009-07-28 | 公開日 | 2010-03-31 | 最終更新日 | 2023-11-01 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Diversity in DNA recognition by p53 revealed by crystal structures with Hoogsteen base pairs Nat.Struct.Mol.Biol., 17, 2010
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6AQP
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![BU of 6aqp by Molmil](/molmil-images/mine/6aqp) | Aspergillus fumigatus Cytosolic Thiolase: Acetylated enzyme in complex with CoA and potassium ions | 分子名称: | ACETYL COENZYME *A, Acetyl-CoA acetyltransferase, CHLORIDE ION, ... | 著者 | Marshall, A.C, Bond, C.S, Bruning, J.B. | 登録日 | 2017-08-21 | 公開日 | 2018-05-30 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Structure of Aspergillus fumigatus Cytosolic Thiolase: Trapped Tetrahedral Reaction Intermediates and Activation by Monovalent Cations Acs Catalysis, 8(3), 2018
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8BJD
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![BU of 8bjd by Molmil](/molmil-images/mine/8bjd) | Full length structure of LpMIP with bound inhibitor JK095 | 分子名称: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, ... | 著者 | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | 登録日 | 2022-11-04 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding. Int.J.Biol.Macromol., 252, 2023
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8BK4
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![BU of 8bk4 by Molmil](/molmil-images/mine/8bk4) | Full length structure of the apo-state LpMIP. | 分子名称: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, GLYCEROL, Macrophage infectivity potentiator, ... | 著者 | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | 登録日 | 2022-11-08 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding. Int.J.Biol.Macromol., 252, 2023
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8BK5
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![BU of 8bk5 by Molmil](/molmil-images/mine/8bk5) | A structure of the truncated LpMIP with bound inhibitor JK095. | 分子名称: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase, SODIUM ION | 著者 | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | 登録日 | 2022-11-08 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.44 Å) | 主引用文献 | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding. Int.J.Biol.Macromol., 252, 2023
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8BJH
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![BU of 8bjh by Molmil](/molmil-images/mine/8bjh) | chimera of the inactive ExoY Nucleotidyl Cyclase domain from Vibrio nigripulchritudo MARTX toxin, with the double mutation K3528M and K3535I, fused to a proline-Rich-Domain (PRD) and profilin, bound to Latrunculin B-ADP-Mg-actin | 分子名称: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-DIPHOSPHATE, Actin, ... | 著者 | Teixeira-Nunes, M, Renault, L, Retailleau, P. | 登録日 | 2022-11-04 | 公開日 | 2023-09-20 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (1.69 Å) | 主引用文献 | Functional and structural insights into the multi-step activation and catalytic mechanism of bacterial ExoY nucleotidyl cyclase toxins bound to actin-profilin. Plos Pathog., 19, 2023
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5F8L
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![BU of 5f8l by Molmil](/molmil-images/mine/5f8l) | Enterovirus 71 Polymerase Elongation Complex (C3S1 Form) | 分子名称: | Genome polyprotein, RNA (35-MER), RNA (5'-R(*UP*GP*UP*UP*CP*GP*AP*CP*GP*AP*GP*AP*GP*AP*GP*AP*CP*C)-3'), ... | 著者 | Shu, B, Gong, P. | 登録日 | 2015-12-09 | 公開日 | 2016-06-22 | 最終更新日 | 2023-11-08 | 実験手法 | X-RAY DIFFRACTION (2.812 Å) | 主引用文献 | Structural basis of viral RNA-dependent RNA polymerase catalysis and translocation Proc.Natl.Acad.Sci.USA, 113, 2016
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8BJE
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![BU of 8bje by Molmil](/molmil-images/mine/8bje) | A structure of the truncated LpMIP with bound inhibitor JK236. | 分子名称: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-[(1~{S})-1-pyridin-2-ylethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, GLYCEROL, Peptidyl-prolyl cis-trans isomerase | 著者 | Whittaker, J.J, Guskov, A, Goretzki, B, Hellmich, U.A. | 登録日 | 2022-11-04 | 公開日 | 2023-09-06 | 最終更新日 | 2023-09-13 | 実験手法 | X-RAY DIFFRACTION (1.49 Å) | 主引用文献 | Legionella pneumophila macrophage infectivity potentiator protein appendage domains modulate protein dynamics and inhibitor binding. Int.J.Biol.Macromol., 252, 2023
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1AYU
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![BU of 1ayu by Molmil](/molmil-images/mine/1ayu) | CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT SYMMETRIC BISCARBOHYDRAZIDE INHIBITOR | 分子名称: | 1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE, CATHEPSIN K | 著者 | Zhao, B, Smith, W.W, Janson, C.A, Abdel-Meguid, S.S. | 登録日 | 1997-11-10 | 公開日 | 1998-11-25 | 最終更新日 | 2023-08-02 | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | 主引用文献 | Design of potent and selective human cathepsin K inhibitors that span the active site. Proc.Natl.Acad.Sci.USA, 94, 1997
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7BOM
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![BU of 7bom by Molmil](/molmil-images/mine/7bom) | Crystal structure of recombinant horse spleen apo-R52C/E56C/R59C/E63C-Fr immobilized with gold ions. | 分子名称: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | 著者 | Hishikawa, Y, Maity, B, Ito, N, Abe, S, Lu, D, Ueno, T. | 登録日 | 2020-03-19 | 公開日 | 2021-01-27 | 最終更新日 | 2023-11-29 | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | 主引用文献 | Design of Multinuclear Gold Binding Site at the Two-fold Symmetric Interface of the Ferritin Cage Chem Lett., 49, 2021
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5YHT
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![BU of 5yht by Molmil](/molmil-images/mine/5yht) | |
6AYK
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5M9N
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![BU of 5m9n by Molmil](/molmil-images/mine/5m9n) | Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically dimethylated E2F peptide | 分子名称: | 1,2-ETHANEDIOL, E2F peptide, N3, ... | 著者 | Tallant, C, Savitsky, P, Moehlenbrink, J, Chan, C, Nunez-Alonso, G, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Fedorov, O, La Thangue, N.B, Knapp, S, Structural Genomics Consortium (SGC) | 登録日 | 2016-11-01 | 公開日 | 2016-11-16 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Crystal structure of human TDRD1 extended Tudor domain in complex with a symmetrically
dimethylated E2F peptide To Be Published
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7ONI
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![BU of 7oni by Molmil](/molmil-images/mine/7oni) | Structure of Neddylated CUL5 C-terminal region-RBX2-ARIH2* | 分子名称: | Cullin-5, E3 ubiquitin-protein ligase ARIH2, NEDD8, ... | 著者 | Kostrhon, S.P, prabu, J.R, Schulman, B.A. | 登録日 | 2021-05-25 | 公開日 | 2021-09-15 | 最終更新日 | 2021-10-06 | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | 主引用文献 | CUL5-ARIH2 E3-E3 ubiquitin ligase structure reveals cullin-specific NEDD8 activation. Nat.Chem.Biol., 17, 2021
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8G72
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![BU of 8g72 by Molmil](/molmil-images/mine/8g72) | SARS-CoV-2 spike/Nb2 complex with 1 RBD up (local refinement at 5.6 A) | 分子名称: | Nanosota-2, Spike glycoprotein | 著者 | Ye, G, Bu, F, Liu, B, Li, F. | 登録日 | 2023-02-16 | 公開日 | 2024-01-24 | 実験手法 | ELECTRON MICROSCOPY (5.6 Å) | 主引用文献 | Discovery of Nanosota-2, -3, and -4 as super potent and broad-spectrum therapeutic nanobody candidates against COVID-19. J.Virol., 97, 2023
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6PAW
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![BU of 6paw by Molmil](/molmil-images/mine/6paw) | |
8GJ5
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![BU of 8gj5 by Molmil](/molmil-images/mine/8gj5) | fungal pcna and peptidomimetic | 分子名称: | Proliferating cell nuclear antigen, THR-ASP-ILE-ARG-ASN-PHE-PHE-HIS-SER | 著者 | Vandborg, B, Bruning, J.B. | 登録日 | 2023-03-14 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Towards a High-Affinity Peptidomimetic Targeting Proliferating Cell Nuclear Antigen from Aspergillus fumigatus. J Fungi, 9, 2023
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6Z9P
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![BU of 6z9p by Molmil](/molmil-images/mine/6z9p) | Transcription termination intermediate complex 1 | 分子名称: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, ... | 著者 | Said, N, Hilal, T, Loll, B, Wahl, M.C. | 登録日 | 2020-06-04 | 公開日 | 2020-11-04 | 最終更新日 | 2021-02-03 | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | 主引用文献 | Steps toward translocation-independent RNA polymerase inactivation by terminator ATPase rho. Science, 371, 2021
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8GJF
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![BU of 8gjf by Molmil](/molmil-images/mine/8gjf) | afupcna bound with peptide mimetic | 分子名称: | LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-PHE-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen | 著者 | Vandborg, B, Bruning, J.B. | 登録日 | 2023-03-15 | 公開日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Towards a High-Affinity Peptidomimetic Targeting Proliferating Cell Nuclear Antigen from Aspergillus fumigatus. J Fungi, 9, 2023
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6B0H
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![BU of 6b0h by Molmil](/molmil-images/mine/6b0h) | Crystal structure of Pfs25 in complex with the transmission blocking antibody 1262 | 分子名称: | 1,2-ETHANEDIOL, 1262 antibody, heavy chain, ... | 著者 | McLeod, B, Scally, S.W, Bosch, A, King, C.R, Julien, J.P. | 登録日 | 2017-09-14 | 公開日 | 2017-11-15 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Molecular definition of multiple sites of antibody inhibition of malaria transmission-blocking vaccine antigen Pfs25. Nat Commun, 8, 2017
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6TNB
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![BU of 6tnb by Molmil](/molmil-images/mine/6tnb) | X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 41 | 分子名称: | (2~{R})-2-(4-fluorophenyl)-~{N}-[4-[2-[(2-methoxy-4-methylsulfonyl-phenyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide, CHLORIDE ION, Dual specificity protein kinase TTK | 著者 | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | 登録日 | 2019-12-06 | 公開日 | 2020-05-13 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | 主引用文献 | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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5J54
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![BU of 5j54 by Molmil](/molmil-images/mine/5j54) | The Structure and Mechanism of NOV1, a Resveratrol-Cleaving Dioxygenase | 分子名称: | Carotenoid oxygenase, FE (III) ION, OXYGEN MOLECULE, ... | 著者 | McAndrew, R.P, Pereira, J.H, Sathitsuksanoh, N, Sale, K.L, Simmons, B.A, Adams, P.D. | 登録日 | 2016-04-01 | 公開日 | 2016-11-30 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.89 Å) | 主引用文献 | Structure and mechanism of NOV1, a resveratrol-cleaving dioxygenase. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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