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5L45
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polyketide ketoreductase SimC7 - apo crystal form 2
分子名称: GLYCEROL, SimC7, TETRAETHYLENE GLYCOL
著者Schafer, M, Stevenson, C.E.M, Wilkinson, B, Lawson, D.M, Buttner, M.J.
登録日2016-05-25
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substrate-Assisted Catalysis in Polyketide Reduction Proceeds via a Phenolate Intermediate.
Cell Chem Biol, 23, 2016
8A4W
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BU of 8a4w by Molmil
Crystal structure of human cathepsin L with covalently bound Cathepsin L inhibitor IV
分子名称: 1,2-ETHANEDIOL, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2022-06-13
公開日2023-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
8A4X
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Crystal structure of human Cathepsin L with covalently bound Calpain inhibitor III
分子名称: (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate, Cathepsin L, DI(HYDROXYETHYL)ETHER, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2022-06-13
公開日2023-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
6YK0
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BU of 6yk0 by Molmil
Crystal structure of mouse pyridoxal kinase in complex with ATP-gamma-S
分子名称: 1,2-ETHANEDIOL, GLYCEROL, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Kasaragod, V.B, Schindelin, H.
登録日2020-04-05
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Pyridoxal kinase inhibition by artemisinins down-regulates inhibitory neurotransmission.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YRV
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BU of 6yrv by Molmil
Crystal structure of FAP after illumination at 100K
分子名称: CARBON DIOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, ...
著者Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P.
登録日2020-04-20
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
4GZ7
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BU of 4gz7 by Molmil
The crystal structure of Apo-dihydropyrimidinase from Tetraodon nigroviridis
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, dihydropyrimidinase
著者Hsien, Y.C, Chen, M.C, Hsu, C.C, Chan, S.I, Yang, Y.S, Chen, C.J.
登録日2012-09-06
公開日2013-09-11
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lysine Carboxylation: Metal and Structure Requirements for Post-translational Modification
To be Published
6YJZ
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BU of 6yjz by Molmil
Crystal structure of mouse pyridoxal kinase in apo form
分子名称: 1,2-ETHANEDIOL, GLYCEROL, Pyridoxal Kinase, ...
著者Kasaragod, V.B, Schindelin, H.
登録日2020-04-05
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Pyridoxal kinase inhibition by artemisinins down-regulates inhibitory neurotransmission.
Proc.Natl.Acad.Sci.USA, 117, 2020
8IEO
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BU of 8ieo by Molmil
Cryo-EM structure of ATP13A2 in the nominal E1P state
分子名称: MAGNESIUM ION, Polyamine-transporting ATPase 13A2, SPERMINE, ...
著者Liu, Z.M, Mu, J.Q, Xue, C.Y.
登録日2023-02-15
公開日2023-12-20
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Conformational cycle of human polyamine transporter ATP13A2.
Nat Commun, 14, 2023
8A4U
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BU of 8a4u by Molmil
Crystal structure of human cathepsin L with CAA0225
分子名称: (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide, 1,2-ETHANEDIOL, Cathepsin L, ...
著者Falke, S, Lieske, J, Guenther, S, Reinke, P.Y.A, Ewert, W, Loboda, J, Karnicar, K, Usenik, A, Lindic, N, Sekirnik, A, Chapman, H.N, Hinrichs, W, Turk, D, Meents, A.
登録日2022-06-13
公開日2023-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Elucidation and Antiviral Activity of Covalent Cathepsin L Inhibitors.
J.Med.Chem., 67, 2024
6YK1
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BU of 6yk1 by Molmil
Crystal structure of mouse pyridoxal kinase in complex with ATP-gamma-S and artesunate
分子名称: 1,2-ETHANEDIOL, Artesunate, GLYCEROL, ...
著者Kasaragod, V.B, Schindelin, H.
登録日2020-04-05
公開日2021-04-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Pyridoxal kinase inhibition by artemisinins down-regulates inhibitory neurotransmission.
Proc.Natl.Acad.Sci.USA, 117, 2020
6YRU
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BU of 6yru by Molmil
Crystal structure of FAP in the dark at 100K
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID
著者Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P.
登録日2020-04-20
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
6YS2
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BU of 6ys2 by Molmil
Crystal structure of FAP R451A in the dark at 100K
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID
著者Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P.
登録日2020-04-20
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
8HYN
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BU of 8hyn by Molmil
Bacterial STING from Riemerella anatipestifer
分子名称: CD-NTase-associated protein 12, TETRAETHYLENE GLYCOL
著者Wang, Y.-C, Yang, C.-S, Hou, M.-H, Chen, Y.
登録日2023-01-07
公開日2024-01-10
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.089 Å)
主引用文献Structural insights into the regulation, ligand recognition, and oligomerization of bacterial STING.
Nat Commun, 14, 2023
6YRX
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BU of 6yrx by Molmil
Low-dose crystal structure of FAP at room temperature
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid Photodecarboxylase, STEARIC ACID
著者Sorigue, D, Gotthard, G, Blangy, S, Nurizzo, D, Royant, A, Beisson, F, Arnoux, P.
登録日2020-04-20
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
6R7R
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BU of 6r7r by Molmil
Crystal structure of the glutamate transporter homologue GltTk in complex with D-aspartate
分子名称: D-ASPARTIC ACID, DECYL-BETA-D-MALTOPYRANOSIDE, DI(HYDROXYETHYL)ETHER, ...
著者Arkhipova, V, Guskov, A, Slotboom, D.J.
登録日2019-03-29
公開日2019-04-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Binding and transport of D-aspartate by the glutamate transporter homolog Glt Tk .
Elife, 8, 2019
6YRZ
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BU of 6yrz by Molmil
Crystal structure of FAP et pH 8.5 after illumination at 150K
分子名称: CARBON DIOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, ...
著者Sorigue, D, Legrand, P, Blangy, S, Beisson, F, Arnoux, P.
登録日2020-04-20
公開日2021-04-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.824 Å)
主引用文献Mechanism and dynamics of fatty acid photodecarboxylase.
Science, 372, 2021
8IDR
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BU of 8idr by Molmil
Crystal structure of apo-form of dehydroquinate dehydratase from Corynebacterium glutamicum
分子名称: 3-dehydroquinate dehydratase, CITRATE ANION, TETRAETHYLENE GLYCOL
著者Lee, C.H, Kim, S, Kim, K.-J.
登録日2023-02-14
公開日2023-12-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and Biochemical Analysis of 3-Dehydroquinate Dehydratase from Corynebacterium glutamicum .
J Microbiol Biotechnol., 33, 2023
6R9S
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BU of 6r9s by Molmil
Human Cyclophilin D in complex with bicyclic fragment
分子名称: (1~{R},9~{R},10~{S})-4-fluoranyl-12-oxa-8-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,5-trien-10-ol, PENTAETHYLENE GLYCOL, Peptidyl-prolyl cis-trans isomerase F, ...
著者Graedler, U.
登録日2019-04-04
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
6R9U
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BU of 6r9u by Molmil
Human Cyclophilin D in complex with fragment
分子名称: 14-ethyl-4,6-dioxa-10,14-diazatricyclo[7.6.0.0^{3,7}]pentadeca-1(9),2,7-trien-13-one, Peptidyl-prolyl cis-trans isomerase F, mitochondrial, ...
著者Graedler, U.
登録日2019-04-04
公開日2019-11-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Discovery of novel Cyclophilin D inhibitors starting from three dimensional fragments with millimolar potencies.
Bioorg.Med.Chem.Lett., 29, 2019
5LK1
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BU of 5lk1 by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 200 mM KCL
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
著者Guardado-Calvo, P, Rey, F.A.
登録日2016-07-20
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
5LJX
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BU of 5ljx by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 600 mM KCL
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
著者Guardado-Calvo, P, Rey, F.A.
登録日2016-07-20
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
5ISJ
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BU of 5isj by Molmil
Endothiapepsin in complex with chiral chlorinated primary amine fragment
分子名称: (1S)-2-amino-1-(4-chlorophenyl)ethan-1-ol, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Radeva, N, Heine, A, Klebe, G.
登録日2016-03-15
公開日2017-03-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.651 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
to be published
6YS4
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BU of 6ys4 by Molmil
Structure of the Homo sapiens SAS-6 coiled-coil domain
分子名称: GLYCINE, Spindle assembly abnormal protein 6 homolog, TETRAETHYLENE GLYCOL
著者Kantsadi, A.L, Vakonakis, I.
登録日2020-04-21
公開日2021-05-12
最終更新日2022-03-16
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Structures of SAS-6 coiled coil hold implications for the polarity of the centriolar cartwheel.
Structure, 2022
6R5H
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BU of 6r5h by Molmil
Major aspartyl peptidase 1 from C. neoformans
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, ...
著者Krystufek, R, Sacha, P, Brynda, J, Konvalinka, J.
登録日2019-03-25
公開日2021-04-07
最終更新日2021-06-09
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Re-emerging Aspartic Protease Targets: Examining Cryptococcus neoformans Major Aspartyl Peptidase 1 as a Target for Antifungal Drug Discovery.
J.Med.Chem., 64, 2021
5LGJ
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BU of 5lgj by Molmil
THE CRYSTAL STRUCTURE OF IGE FC MUTANT - P333C
分子名称: GLYCEROL, Ig epsilon chain C region, SULFATE ION, ...
著者Dhaliwal, B, Pang, M.O.Y, Sutton, B.J.
登録日2016-07-07
公開日2017-03-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献THE CRYSTAL STRUCTURE OF IGE FC MUTANT - P333C
To Be Published

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件を2024-10-16に公開中

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