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185L
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BU of 185l by Molmil
SPECIFICITY OF LIGAND BINDING IN A BURIED NON-POLAR CAVITY OF T4 LYSOZYME: LINKAGE OF DYNAMICS AND STRUCTURAL PLASTICITY
分子名称: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, INDOLE, ...
著者Morton, A, Matthews, B.W.
登録日1995-04-19
公開日1995-07-10
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Specificity of ligand binding in a buried nonpolar cavity of T4 lysozyme: linkage of dynamics and structural plasticity.
Biochemistry, 34, 1995
8AFO
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Structure of fibronectin 2 and 3 of L1CAM at 2.0 Angstrom
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neural cell adhesion molecule L1
著者Guedez, G, Loew, C.
登録日2022-07-18
公開日2023-03-08
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献X-ray structure and function of fibronectin domains two and three of the neural cell adhesion molecule L1.
Faseb J., 37, 2023
4Y7T
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Structural analysis of MurU
分子名称: GLYCEROL, Nucleotidyl transferase, SULFATE ION
著者Renner-Schneck, M.G, Stehle, T.
登録日2015-02-16
公開日2015-03-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of the N-Acetylmuramic Acid alpha-1-Phosphate (MurNAc-alpha 1-P) Uridylyltransferase MurU, a Minimal Sugar Nucleotidyltransferase and Potential Drug Target Enzyme in Gram-negative Pathogens.
J.Biol.Chem., 290, 2015
2W4K
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BU of 2w4k by Molmil
X-ray structure of a DAP-Kinase 2-302
分子名称: ADENOSINE-5'-DIPHOSPHATE, DEATH-ASSOCIATED PROTEIN KINASE 1, MAGNESIUM ION
著者De Diego, I, Kuper, J, Lehmann, F, Wilmanns, M.
登録日2008-11-27
公開日2009-12-22
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Pef/Y Substrate Recognition and Signature Motif Plays a Critical Role in Dapk-Related Kinase Activity.
Chem.Biol., 21, 2014
5TUL
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Crystal structure of tetracycline destructase Tet(55)
分子名称: PHOSPHATE ION, Tetracycline destructase Tet(55)
著者Park, J, Tolia, N.H.
登録日2016-11-06
公開日2017-05-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Plasticity, dynamics, and inhibition of emerging tetracycline resistance enzymes.
Nat. Chem. Biol., 13, 2017
2VZQ
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C-terminal CBM35 from Amycolatopsis orientalis exo-chitosanase CsxA in complex with digalacturonic acid
分子名称: 1,2-ETHANEDIOL, 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid, CALCIUM ION, ...
著者Lammerts van Bueren, A, Boraston, A.B.
登録日2008-08-05
公開日2009-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
6Y8F
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An inactive (D136N and D137N) variant of alpha-1,6-mannanase, GH76A of Salegentibacter sp. HEL1_6 in complex with alpha-1,6-mannotriose
分子名称: Alpha-1,6-endo-mannanase GH76A mutant, CALCIUM ION, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose
著者Hehemann, J.H, Solanki, V.A.
登録日2020-03-04
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.472 Å)
主引用文献Glycoside hydrolase from the GH76 family indicates that marine Salegentibacter sp. Hel_I_6 consumes alpha-mannan from fungi.
Isme J, 2022
4YPA
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ASH1L SET domain Q2265A mutant in complex with S-adenosyl methionine (SAM)
分子名称: Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION
著者Rogawski, D.S, Ndoj, J, Cho, H.J, Maillard, I, Grembecka, J, Cierpicki, T.
登録日2015-03-12
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase.
Biochemistry, 54, 2015
5Y6Y
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BU of 5y6y by Molmil
The crystal structure of VrEH2 mutant M263N
分子名称: Epoxide hydrolase
著者Li, F.L, Yu, H.L, Chen, Q, Kong, X.D, Zhou, J.H, Xu, J.H.
登録日2017-08-15
公開日2018-09-05
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Regioselectivity Engineering of Epoxide Hydrolase: Near-Perfect Enantioconvergence through a Single Site Mutation
Acs Catalysis, 8, 2018
2W46
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BU of 2w46 by Molmil
CBM35 from Cellvibrio japonicus Abf62
分子名称: CALCIUM ION, ESTERASE D, SODIUM ION
著者Montainer, C, Lammerts van Bueren, A, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J.
登録日2008-11-21
公開日2009-01-27
最終更新日2017-06-28
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
2VZP
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Atomic Resolution Structure of the C-terminal CBM35 from Amycolatopsis orientalis exo-chitosanase CsxA
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, EXO-BETA-D-GLUCOSAMINIDASE
著者Lammerts van Bueren, A, Boraston, A.B.
登録日2008-08-05
公開日2009-01-13
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
4YGW
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BU of 4ygw by Molmil
RNase S in complex with stabilized S peptide
分子名称: 1-hydroxypropan-2-one, Ribonuclease A C2, S-peptide: ACE-LYS-GLU-THR-ALA-ALA-HCS-LYS-PHE-GLU-HCS-GLN-HIS-MET-ASP-SER, ...
著者Assem, N, Ferreira, D, Wolan, D.W, Dawson, P.E.
登録日2015-02-26
公開日2015-07-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Acetone-Linked Peptides: A Convergent Approach for Peptide Macrocyclization and Labeling.
Angew.Chem.Int.Ed.Engl., 54, 2015
3K3L
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BU of 3k3l by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with apo Enterobactin
分子名称: 2,3-DIHYDROXY-BENZOIC ACID, 2-(2,3-DIHYDROXY-BENZOYLAMINO)-3-HYDROXY-PROPIONIC ACID, CHLORIDE ION, ...
著者Clifton, M.C.
登録日2009-10-02
公開日2010-08-18
最終更新日2021-10-13
実験手法X-RAY DIFFRACTION (2.62 Å)
主引用文献Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
8AK1
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BU of 8ak1 by Molmil
Crystal structure of a CagI:K2 complex
分子名称: Cag pathogenicity island protein (Cag19), Designed Ankyrin Repeat Protein K2
著者Blanc, M, Guerin, J, Terradot, L.
登録日2022-07-29
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Designed Ankyrin Repeat Proteins provide insights into the structure and function of CagI and are potent inhibitors of CagA translocation by the Helicobacter pylori type IV secretion system.
Plos Pathog., 19, 2023
8ANQ
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BU of 8anq by Molmil
Crystal structure of the microbial rhodopsin from Sphingomonas paucimobilis (SpaR)
分子名称: Bacteriorhodopsin, EICOSANE
著者Kovalev, K, Okhrimenko, I, Marin, E, Gordeliy, V.
登録日2022-08-05
公開日2023-05-03
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Mirror proteorhodopsins.
Commun Chem, 6, 2023
8AIW
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BU of 8aiw by Molmil
Structure of the K5/CagI complex
分子名称: Cag pathogenicity island protein (Cag19), Designed Ankyrin Repeat Protein K5
著者Blanc, M, Guerin, J, Terradot, L.
登録日2022-07-27
公開日2023-05-17
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Designed Ankyrin Repeat Proteins provide insights into the structure and function of CagI and are potent inhibitors of CagA translocation by the Helicobacter pylori type IV secretion system.
Plos Pathog., 19, 2023
7X6K
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BU of 7x6k by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3w
分子名称: 1H-indole-2-carbaldehyde, 3C-like proteinase
著者Su, H, Nie, T, Xie, H, Li, Z.W, Li, M.J, Xu, Y.
登録日2022-03-07
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure-Activity Relationships, Antiviral Activity, and X-ray Structure Determination.
J.Med.Chem., 65, 2022
1PQA
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Trypsin with PMSF at atomic resolution
分子名称: SULFATE ION, Trypsin
著者Schmidt, A, Jelsch, C, Rypniewski, W, Lamzin, V.S.
登録日2003-06-18
公開日2003-11-11
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.23 Å)
主引用文献Trypsin Revisited: CRYSTALLOGRAPHY AT (SUB) ATOMIC RESOLUTION AND QUANTUM CHEMISTRY REVEALING DETAILS OF CATALYSIS.
J.Biol.Chem., 278, 2003
7X6J
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BU of 7x6j by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with compound 3af
分子名称: 3C-like proteinase, quinoline-2-carboxylic acid
著者Su, H, Nie, T, Xie, H, Li, Z.W, Li, M.J, Xu, Y.
登録日2022-03-07
公開日2022-07-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Small-Molecule Thioesters as SARS-CoV-2 Main Protease Inhibitors: Enzyme Inhibition, Structure-Activity Relationships, Antiviral Activity, and X-ray Structure Determination.
J.Med.Chem., 65, 2022
4YRV
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BU of 4yrv by Molmil
Crystal structure of Anabaena transcription factor HetR complexed with 21-bp DNA from hetP promoter
分子名称: CALCIUM ION, DNA (5'-D(P*AP*TP*GP*AP*GP*GP*GP*GP*TP*TP*AP*GP*AP*CP*CP*CP*CP*TP*CP*GP*C)-3'), DNA (5'-D(P*GP*CP*GP*AP*GP*GP*GP*GP*TP*CP*TP*AP*AP*CP*CP*CP*CP*TP*CP*AP*T)-3'), ...
著者Hu, H.X, Jiang, Y.L, Zhao, M.X, Zhang, C.C, Chen, Y, Zhou, C.Z.
登録日2015-03-16
公開日2015-12-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural insights into HetR-PatS interaction involved in cyanobacterial pattern formation
Sci Rep, 5, 2015
4YIH
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Crystal structure of human cytosolic 5'(3')-deoxyribonucleotidase in complex with the inhibitor PB-PVU
分子名称: 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-D-threo-pentofuranosyl}-5-[(E)-2-phosphonoethenyl]pyrimidine-2,4(1H,3H)-dione, 5'(3')-deoxyribonucleotidase, cytosolic type, ...
著者Pachl, P, Rezacova, P, Brynda, J.
登録日2015-03-02
公開日2015-09-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献Structure-based design of a bisphosphonate 5'(3')-deoxyribonucleotidase inhibitor
Medchemcomm, 6, 2015
4YNP
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ASH1L SET domain S2259M mutant in complex with S-adenosyl methionine (SAM)
分子名称: Histone-lysine N-methyltransferase ASH1L, S-ADENOSYLMETHIONINE, ZINC ION
著者Rogawski, D.S, Ndoj, J, Cho, H.-J, Maillard, I, Grembecka, J, Cierpicki, T.
登録日2015-03-10
公開日2015-09-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Two Loops Undergoing Concerted Dynamics Regulate the Activity of the ASH1L Histone Methyltransferase.
Biochemistry, 54, 2015
8B1P
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Crystal structure of SUDV VP40 CCS mutant
分子名称: Matrix protein VP40
著者Werner, A.-D, Becker, S.
登録日2022-09-11
公開日2023-06-21
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The C-terminus of Sudan ebolavirus VP40 contains a functionally important CX n C motif, a target for redox modifications.
Structure, 31, 2023
7XLW
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Crystal structure of a NIR-emitting DNA-stabilized Ag16 nanocluster (G7I/G9I mutant)
分子名称: DNA (5'-D(*CP*AP*CP*CP*TP*AP*IP*CP*IP*A)-3'), SILVER ION
著者Kondo, J, Cerretani, C, Vosch, T.
登録日2022-04-23
公開日2022-07-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The effect of inosine on the spectroscopic properties and crystal structure of a NIR-emitting DNA-stabilized silver nanocluster.
Nanoscale Adv, 4, 2022
6YN1
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Crystal structure of histone chaperone APLF acidic domain bound to the histone H2A-H2B-H3-H4 octamer
分子名称: Aprataxin and PNK-like factor, CHLORIDE ION, GLYCEROL, ...
著者Corbeski, I, Guo, X, Van Ingen, H, Sixma, T.K.
登録日2020-04-10
公開日2021-11-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Chaperoning of the histone octamer by the acidic domain of DNA repair factor APLF.
Sci Adv, 8, 2022

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