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7NWA
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BU of 7nwa by Molmil
CRYSTAL STRUCTURE OF HUMAN CYTOSOLIC BRANCHED-CHAIN AMINOTRANSFERASE (BCAT1) IN COMPLEX WITH PLP AND COMPOUND A
Descriptor: 2-[[4-chloranyl-2,6-bis(fluoranyl)phenyl]methylamino]-7-oxidanylidene-5-propyl-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Branched-chain-amino-acid aminotransferase, cytosolic, ...
Authors:Hillig, R.C.
Deposit date:2021-03-16
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:BAY-069, a Novel (Trifluoromethyl)pyrimidinedione-Based BCAT1/2 Inhibitor and Chemical Probe.
J.Med.Chem., 65, 2022
2IES
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BU of 2ies by Molmil
Crystal Structure of Aquifex aeolicus LpxC Complexed with Pyrophosphate
Descriptor: CHLORIDE ION, PALMITIC ACID, PYROPHOSPHATE 2-, ...
Authors:Gennadios, H.A, Christianson, D.W.
Deposit date:2006-09-19
Release date:2007-01-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Binding of Uridine 5-Diphosphate in the Basic Patch of the Zinc Metalloenzyme Deacetylase LpxC and Implications for Substrate Binding
Biochemistry, 45, 2006
8TDJ
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BU of 8tdj by Molmil
Cryo-EM structure of the wild-type AtMSL10 in GDN
Descriptor: Mechanosensitive ion channel protein 10
Authors:Zhang, J, Yuan, P.
Deposit date:2023-07-03
Release date:2023-10-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Open structure and gating of the Arabidopsis mechanosensitive ion channel MSL10.
Nat Commun, 14, 2023
2IER
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BU of 2ier by Molmil
Crystal Structure of Aquifex aeolicus LpxC Complexed with Uridine 5'-Diphosphate
Descriptor: GLYCEROL, PALMITIC ACID, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Gennadios, H.A, Christianson, D.W.
Deposit date:2006-09-19
Release date:2007-01-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding of Uridine 5-Diphosphate in the Basic Patch of the Zinc Metalloenzyme Deacetylase LpxC and Implications for Substrate Binding
Biochemistry, 45, 2006
2YAT
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BU of 2yat by Molmil
Crystal structure of estradiol derived metal chelate and estrogen receptor-ligand binding domain complex
Descriptor: ESTRADIOL-PYRIDINIUM TETRAACETIC ACID, ESTROGEN RECEPTOR, EUROPIUM ION, ...
Authors:Li, M.J, Greenblatt, H.M, Dym, O, Albeck, S, Degani, H, Sussman, J.L.
Deposit date:2011-02-24
Release date:2011-06-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.602 Å)
Cite:Structure of Estradiol Metal Chelate and Estrogen Receptor Complex: The Basis for Designing a New Class of Selective Estrogen Receptor Modulators.
J.Med.Chem., 54, 2011
3ATK
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BU of 3atk by Molmil
Crystal structure of trypsin complexed with cycloheptanamine
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2011-01-05
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3ATI
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BU of 3ati by Molmil
Crystal structure of trypsin complexed with (3-methoxyphenyl)methanamine
Descriptor: 1-(3-methoxyphenyl)methanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2011-01-05
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
7PIU
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BU of 7piu by Molmil
Cryo-EM structure of the agonist setmelanotide bound to the active melanocortin-4 receptor (MC4R) in complex with the heterotrimeric Gs protein at 2.6 A resolution.
Descriptor: CALCIUM ION, Camelid antibody fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P.
Deposit date:2021-08-23
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide.
Cell Res., 31, 2021
7PIV
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BU of 7piv by Molmil
Active Melanocortin-4 receptor (MC4R)- Gs protein complex bound to agonist NDP-alpha-MSH at 2.86 A resolution.
Descriptor: CALCIUM ION, Camelid antibody VHH fragment - nanobody 35, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Heyder, N.A, Schmidt, A, Kleinau, G, Hilal, T, Scheerer, P.
Deposit date:2021-08-23
Release date:2021-11-17
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structures of active melanocortin-4 receptor-Gs-protein complexes with NDP-alpha-MSH and setmelanotide.
Cell Res., 31, 2021
7PUF
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BU of 7puf by Molmil
urate oxidase azaxanthine complex under 600 bar (60 MPa) of argon
Descriptor: 8-AZAXANTHINE, ARGON, SODIUM ION, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2021-09-29
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
2GO4
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BU of 2go4 by Molmil
Crystal structure of Aquifex aeolicus LpxC complexed with TU-514
Descriptor: 1,5-ANHYDRO-2-C-(CARBOXYMETHYL-N-HYDROXYAMIDE)-2-DEOXY-3-O-MYRISTOYL-D-GLUCITOL, CHLORIDE ION, UDP-3-O-[3-hydroxymyristoyl] N-acetylglucosamine deacetylase, ...
Authors:Gennadios, H.A, Whittington, D.A, Li, X, Fierke, C.A, Christianson, D.W.
Deposit date:2006-04-12
Release date:2006-07-04
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanistic Inferences from the Binding of Ligands to LpxC, a Metal-Dependent Deacetylase
Biochemistry, 45, 2006
2GNT
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BU of 2gnt by Molmil
EDTA treated P. angolensis lectin (PAL) remetallized with calcium (1 hour treatment)
Descriptor: CALCIUM ION, lectin
Authors:Garcia-Pino, A, Buts, L, Wyns, L, Loris, R.
Deposit date:2006-04-11
Release date:2006-07-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Interplay Between Metal Binding and cis/trans Isomerization in Legume Lectins: Structural and Thermodynamic Study of P. angolensis Lectin.
J.Mol.Biol., 361, 2006
3ATL
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BU of 3atl by Molmil
Crystal structure of trypsin complexed with benzamidine
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2011-01-05
Release date:2011-08-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
2JDP
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BU of 2jdp by Molmil
Mutant (S23A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-fucopyranoside
Descriptor: CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, methyl alpha-L-fucopyranoside
Authors:Adam, J, Pokorna, M, Sabin, C, Mitchell, E.P, Imberty, A, Wimmerova, M.
Deposit date:2007-01-11
Release date:2007-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Engineering of Pa-Iil Lectin from Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop for Sugar Preference.
Bmc Struct.Biol., 7, 2007
3CE4
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BU of 3ce4 by Molmil
Structure of Macrophage Migration Inhibitory Factor Covalently Inhibited by PMSF Treatment
Descriptor: GLYCEROL, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ...
Authors:Crichlow, G.V, Lolis, E.
Deposit date:2008-02-28
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural and kinetic analyses of macrophage migration inhibitory factor active site interactions.
Biochemistry, 48, 2009
2JDN
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BU of 2jdn by Molmil
Mutant (S22A) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-a-L-mannopyranoside
Descriptor: CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, SULFATE ION, ...
Authors:Adam, J, Pokorna, M, Sabin, C, Mitchell, E.P, Imberty, A, Wimmerova, M.
Deposit date:2007-01-11
Release date:2007-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Engineering of Pa-Iil Lectin from Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop for Sugar Preference.
Bmc Struct.Biol., 7, 2007
2JDY
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BU of 2jdy by Molmil
Mutant (G24N) of Pseudomonas aeruginosa lectin II (PA-IIL) complexed with methyl-b-D-mannoyranoside
Descriptor: CALCIUM ION, FUCOSE-BINDING LECTIN PA-IIL, methyl alpha-D-mannopyranoside
Authors:Adam, J, Pokorna, M, Sabin, C, Mitchell, E.P, Imberty, A, Wimmerova, M.
Deposit date:2007-01-12
Release date:2007-06-12
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Engineering of Pa-Iil Lectin from Pseudomonas Aeruginosa - Unravelling the Role of the Specificity Loop for Sugar Preference.
Bmc Struct.Biol., 7, 2007
5BQI
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BU of 5bqi by Molmil
Discovery of a Potent and Selective mPGES-1 Inhibitor for the Treatment of Pain
Descriptor: (2-hydroxyethoxy)acetaldehyde, 2-(difluoromethyl)-5-{[(2-methylpropanoyl)amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide, GLUTATHIONE, ...
Authors:Fisher, M.J, Schiffler, M.A, Kuklish, S.L, Antonysamy, S, Luz, J.G.
Deposit date:2015-05-29
Release date:2016-04-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors.
J.Med.Chem., 59, 2016
8IYB
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BU of 8iyb by Molmil
Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ...
Authors:Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M.
Deposit date:2023-04-04
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii.
Int.J.Biol.Macromol., 253, 2023
8IYC
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BU of 8iyc by Molmil
Structure insight into substrate recognition and catalysis by feruloyl esterase from Aspergillus sydowii
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Phienluphon, A, Kondo, K, Mikami, B, Nagata, T, Katahira, M.
Deposit date:2023-04-04
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insights into the molecular mechanisms of substrate recognition and hydrolysis by feruloyl esterase from Aspergillus sydowii.
Int.J.Biol.Macromol., 253, 2023
3L4O
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BU of 3l4o by Molmil
Crystal Structure of the MauG/pre-Methylamine Dehydrogenase Complex After Treatment with Hydrogen Peroxide
Descriptor: ACETATE ION, CALCIUM ION, HEME C, ...
Authors:Jensen, L.M.R, Wilmot, C.M.
Deposit date:2009-12-21
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.046 Å)
Cite:In crystallo posttranslational modification within a MauG/pre-methylamine dehydrogenase complex.
Science, 327, 2010
6IA1
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BU of 6ia1 by Molmil
urate oxidase under 120 bar of argon
Descriptor: 8-AZAXANTHINE, ACETATE ION, ARGON, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2018-11-26
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
6IA9
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BU of 6ia9 by Molmil
urate oxidase under 2000 bar (220 MPa) of argon
Descriptor: 8-AZAXANTHINE, ACETYL GROUP, ARGON, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2018-11-26
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
6IC1
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BU of 6ic1 by Molmil
urate oxidase under 90 bar of krypton
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 8-AZAXANTHINE, ACETATE ION, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2018-12-01
Release date:2019-12-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
6I9X
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urate oxidase under 35 bar of argon
Descriptor: 8-AZAXANTHINE, ARGON, SODIUM ION, ...
Authors:Prange, T, Colloc'h, N.
Deposit date:2018-11-26
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022

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