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4Z41
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BU of 4z41 by Molmil
X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Compound with a S,O Bidentate Ligand (9a=Chloro-(1-(3'-hydroxy)-3-(methylthio)-3-thioxo-prop-1-en-1-olate-O,S)-(dimethylsulfoxide-S)-platinum(II))
分子名称: 1,2-ETHANEDIOL, 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol, DIMETHYL SULFOXIDE, ...
著者Merlino, A.
登録日2015-04-01
公開日2015-09-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Platinum(II) Complexes with O,S Bidentate Ligands: Biophysical Characterization, Antiproliferative Activity, and Crystallographic Evidence of Protein Binding.
Inorg.Chem., 54, 2015
6ER4
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BU of 6er4 by Molmil
Ruminococcus gnavus IT-sialidase CBM40 bound to alpha2,6 sialyllactose
分子名称: BNR/Asp-box repeat protein, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, ...
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2017-10-16
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus.
Nat Commun, 8, 2017
6ELO
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BU of 6elo by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
分子名称: 4-ethyl-6-[4-(2-fluorophenyl)-3-methyl-1~{H}-pyrazol-5-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha
著者Musil, D, Lehmann, M, Eggenweiler, H.-M.
登録日2017-09-29
公開日2018-05-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
8PBB
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BU of 8pbb by Molmil
CHAPSO treated partial catalytic component (comprising only AnfD & AnfK, lacking AnfG and FeFeco) of iron nitrogenase from Rhodobacter capsulatus
分子名称: FE(8)-S(7) CLUSTER, Nitrogenase iron-iron protein, beta subunit, ...
著者Schmidt, F.V, Schulz, L, Zarzycki, J, Prinz, S, Erb, T.J, Rebelein, J.G.
登録日2023-06-09
公開日2023-10-04
最終更新日2024-01-31
実験手法ELECTRON MICROSCOPY (2.49 Å)
主引用文献Structural insights into the iron nitrogenase complex.
Nat.Struct.Mol.Biol., 31, 2024
3H1G
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BU of 3h1g by Molmil
Crystal structure of Chey mutant T84A of helicobacter pylori
分子名称: Chemotaxis protein cheY homolog, MAGNESIUM ION, SULFATE ION
著者Lam, K.H, Ling, T.K, Au, S.W.
登録日2009-04-12
公開日2010-03-09
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of activated CheY1 from Helicobacter pylori.
J.Bacteriol., 192, 2010
8P52
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BU of 8p52 by Molmil
Photorhabdus luminescens Makes caterpillars floppy (Mcf) toxin
分子名称: Toxin protein
著者Belyy, A, Heilen, P, Hofnagel, O, Raunser, S.
登録日2023-05-23
公開日2023-11-01
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Structure and activation mechanism of the Makes caterpillars floppy 1 toxin.
Nat Commun, 14, 2023
6E6A
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BU of 6e6a by Molmil
Triclinic crystal form of IncA G144A point mutant
分子名称: Inclusion membrane protein A, SODIUM ION
著者Cingolani, G, Paumet, F.
登録日2018-07-24
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural basis for the homotypic fusion of chlamydial inclusions by the SNARE-like protein IncA.
Nat Commun, 10, 2019
8P51
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BU of 8p51 by Molmil
Photorhabdus luminescens Makes caterpillars floppy (Mcf) toxin with the C-terminal deletion
分子名称: Toxin protein
著者Belyy, A, Heilen, P, Hofnagel, O, Raunser, S.
登録日2023-05-23
公開日2023-11-01
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (3.55 Å)
主引用文献Structure and activation mechanism of the Makes caterpillars floppy 1 toxin.
Nat Commun, 14, 2023
3GLZ
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BU of 3glz by Molmil
Human Transthyretin (TTR) complexed with(E)-3-(2-(trifluoromethyl)benzylideneaminooxy)propanoic acid (inhibitor 11)
分子名称: 3-[({(1E)-[2-(trifluoromethyl)phenyl]methylidene}amino)oxy]propanoic acid, Transthyretin
著者Mohamedmohaideen, N.N, Palaninathan, S.K, Orlandini, E, Sacchettini, J.C.
登録日2009-03-12
公開日2009-07-28
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Novel transthyretin amyloid fibril formation inhibitors: synthesis, biological evaluation, and X-ray structural analysis
Plos One, 4, 2009
6YE9
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BU of 6ye9 by Molmil
Small-molecule inhibitor of 14-3-3 protein-protein interactions
分子名称: 14-3-3 protein sigma, MAGNESIUM ION, [2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethoxy]phenyl]phosphonic acid
著者Ottmann, C, Visser, E.J.
登録日2020-03-24
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-based conversion of a promiscuous inhibitor to a selective stabilizer of protein-protein interactions
To Be Published
8P50
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BU of 8p50 by Molmil
Photorhabdus luminescens Makes caterpillars floppy (Mcf) toxin with the C-terminal deletion in complex with Arf3
分子名称: ADP-ribosylation factor 3, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Belyy, A, Heilen, P, Hofnagel, O, Raunser, S.
登録日2023-05-23
公開日2023-11-01
最終更新日2023-12-27
実験手法ELECTRON MICROSCOPY (4.04 Å)
主引用文献Structure and activation mechanism of the Makes caterpillars floppy 1 toxin.
Nat Commun, 14, 2023
6ELN
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BU of 6eln by Molmil
Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
分子名称: 4-[4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]benzene-1,3-diol, Heat shock protein HSP 90-alpha, SULFATE ION
著者Musil, D, Lehmann, M, Eggenweiler, H.-M.
登録日2017-09-29
公開日2018-05-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.
J Chem Theory Comput, 14, 2018
8ZLG
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BU of 8zlg by Molmil
Crystal structure of a beta-1,4-endoglucanase from Bispora sp. MEY-1
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Endo-beta-1, 4-glucanase
著者Zheng, J, Luo, H.
登録日2024-05-20
公開日2025-05-28
最終更新日2025-06-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Unraveling the Key Determinants of Substrate Promiscuity in Glycoside Hydrolase Family 5_5 Cellulases
To Be Published
8ZMC
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BU of 8zmc by Molmil
Dengue 3 NS5 methyltransferase bound to S-Adenosyl-L-homocysteine and Herbacetin
分子名称: Dengue 3 NS5 methyltransferase, GLYCEROL, Herbacetin, ...
著者Bhutkar, M, Verma, S, Tomar, S, Kumar, P.
登録日2024-05-23
公開日2025-05-28
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Dengue 3 NS5 methyltransferase bound to S-Adenosyl-L-homocysteine and Herbacetin
To Be Published
6YRI
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BU of 6yri by Molmil
THE CRYSTAL STRUCTURE OF THE COMPLEX OF HCAII WITH CAFFEIC ACID
分子名称: CAFFEIC ACID, Carbonic anhydrase 2, GLYCEROL, ...
著者D'Ambrosio, K, De Simone, G.
登録日2020-04-20
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Catechols: a new class of carbonic anhydrase inhibitors.
Chem.Commun.(Camb.), 56, 2020
4Z0B
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BU of 4z0b by Molmil
Crystal Structure of the Fab Fragment of Anti-ofloxacin Antibody and Exploration Its Receptor Binding Site
分子名称: PHOSPHATE ION, antibody heavy chain, antibody light chain
著者He, K, Du, X, Sheng, W, Zhou, X, Wang, J, Wang, S.
登録日2015-03-26
公開日2016-04-27
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal Structure of the Fab Fragment of an Anti-ofloxacin Antibody and Exploration of Its Specific Binding.
J.Agric.Food Chem., 64, 2016
8PJN
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BU of 8pjn by Molmil
Catalytic module of human CTLH E3 ligase bound to multiphosphorylated UBE2H~ubiquitin
分子名称: E3 ubiquitin-protein transferase MAEA, E3 ubiquitin-protein transferase RMND5A, Ubiquitin, ...
著者Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A.
登録日2023-06-23
公開日2024-01-03
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
6ER2
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BU of 6er2 by Molmil
Ruminococcus gnavus IT-sialidase CBM40
分子名称: BNR/Asp-box repeat protein
著者Owen, C.D, Tailford, L.E, Taylor, G.L, Juge, N.
登録日2017-10-16
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Unravelling the specificity and mechanism of sialic acid recognition by the gut symbiont Ruminococcus gnavus.
Nat Commun, 8, 2017
8PMQ
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BU of 8pmq by Molmil
Catalytic module of yeast GID E3 ligase bound to multiphosphorylated Ubc8~ubiquitin
分子名称: E3 ubiquitin-protein ligase RMD5, Protein FYV10, Ubiquitin, ...
著者Chrustowicz, J, Sherpa, D, Prabu, R.J, Schulman, B.A.
登録日2023-06-29
公開日2024-01-03
最終更新日2025-07-09
実験手法ELECTRON MICROSCOPY (3.53 Å)
主引用文献Multisite phosphorylation dictates selective E2-E3 pairing as revealed by Ubc8/UBE2H-GID/CTLH assemblies.
Mol.Cell, 84, 2024
6E6C
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BU of 6e6c by Molmil
HRAS G13D bound to GppNHp (H13GNP)
分子名称: CALCIUM ION, GTPase HRas, MAGNESIUM ION, ...
著者Johnson, C.W, Mattos, C.
登録日2018-07-24
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D.
Cell Rep, 28, 2019
6E6H
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BU of 6e6h by Molmil
NRAS G13D bound to GppNHp (N13GNP)
分子名称: GTPase NRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
著者Johnson, C.W, Mattos, C.
登録日2018-07-24
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D.
Cell Rep, 28, 2019
8PD0
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BU of 8pd0 by Molmil
cryo-EM structure of Doa10 in MSP1E3D1
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10
著者Botsch, J.J, Braeuning, B, Schulman, B.A.
登録日2023-06-11
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE.
Nat Commun, 15, 2024
4Z3M
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BU of 4z3m by Molmil
X-ray structure of the adduct formed in the reaction between lysozyme and a platinum(II) Complex with S,O Bidentate Ligands (9b)
分子名称: 1,2-ETHANEDIOL, 3-[2-chloranyl-2-[dimethyl(oxidanyl)-{4}-sulfanyl]-4-ethylsulfanyl-1-oxa-3{3}-thia-2{4}-platinacyclohexa-3,5-dien-6-yl]phenol, DIMETHYL SULFOXIDE, ...
著者Merlino, A.
登録日2015-03-31
公開日2015-09-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Platinum(II) Complexes with O,S Bidentate Ligands: Biophysical Characterization, Antiproliferative Activity, and Crystallographic Evidence of Protein Binding.
Inorg.Chem., 54, 2015
8PDA
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BU of 8pda by Molmil
cryo-EM structure of Doa10 with RING domain in MSP1E3D1
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE, ERAD-associated E3 ubiquitin-protein ligase DOA10
著者Botsch, J.J, Braeuning, B, Schulman, B.A.
登録日2023-06-12
公開日2024-01-17
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Doa10/MARCH6 architecture interconnects E3 ligase activity with lipid-binding transmembrane channel to regulate SQLE.
Nat Commun, 15, 2024
6ELK
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BU of 6elk by Molmil
C.elegans MnSOD-3 mutant - Q142H
分子名称: GLYCEROL, MANGANESE (II) ION, SULFATE ION, ...
著者Hunter, G.J, Trinh, C.H, Hunter, T.
登録日2017-09-29
公開日2017-12-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献A Single Mutation is Sufficient to Modify the Metal Selectivity and Specificity of a Eukaryotic Manganese Superoxide Dismutase to Encompass Iron.
Chemistry, 24, 2018

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