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6UB8
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BU of 6ub8 by Molmil
Crystal structure of a GH128 (subgroup VI) exo-beta-1,3-glucanase from Aureobasidium namibiae (AnGH128_VI)
Descriptor: GLYCEROL, Glyco_hydro_cc domain-containing protein
Authors:Santos, C.R, Vieira, P.S, Domingues, M.N, Cordeiro, R.L, Tomazini, A, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UBC
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BU of 6ubc by Molmil
Crystal structure of a GH128 (subgroup VII) oligosaccharide-binding protein from Cryptococcus neoformans (CnGH128_VII)
Descriptor: Glyco_hydro_cc domain-containing protein
Authors:Santos, C.R, Costa, P.A.C.R, Souza, B.P, Vieira, P.S, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UAS
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BU of 6uas by Molmil
Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E199A mutant) from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaripentaose
Descriptor: DI(HYDROXYETHYL)ETHER, Glycoside Hydrolase, ZINC ION, ...
Authors:Vieira, P.S, Cabral, L, Costa, P.A.C.R, Santos, C.R, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UAX
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BU of 6uax by Molmil
Crystal structure of a GH128 (subgroup II) endo-beta-1,3-glucanase from Sorangium cellulosum (ScGH128_II)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Santos, C.R, Costa, P.A.C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Vieira, P.S, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UB6
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BU of 6ub6 by Molmil
Crystal structure of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) in complex with laminaritetraose
Descriptor: CHLORIDE ION, Endo-beta-1,3-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
Authors:Santos, C.R, Lima, E.A, Mandelli, F, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UB4
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BU of 6ub4 by Molmil
Crystal structure (C2 form) of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) in complex with laminaritriose
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, GLYCOSIDE HYDROLASE, ...
Authors:Santos, C.R, Lima, E.A, Mandelli, F, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UFL
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BU of 6ufl by Molmil
Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E199Q mutant) from Amycolatopsis mediterranei (AmGH128_I) in the complex with laminarihexaose
Descriptor: Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Cordeiro, R.L, Domingues, M.N, Vieira, P.S, Santos, C.R, Murakami, M.T.
Deposit date:2019-09-24
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UFZ
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BU of 6ufz by Molmil
Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E199Q mutant) from Amycolatopsis mediterranei (AmGH128_I)
Descriptor: Glyco_hydro_cc domain-containing protein
Authors:Cordeiro, R.L, Domingues, M.N, Vieira, P.S, Santos, C.R, Murakami, M.T.
Deposit date:2019-09-25
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UBD
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BU of 6ubd by Molmil
Crystal structure of a GH128 (subgroup VII) oligosaccharide-binding protein from Trichoderma gamsii (TgGH128_VII)
Descriptor: Glyco_hydro_cc domain-containing protein
Authors:Santos, C.R, Costa, P.A.C.R, Souza, B.P, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UAZ
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BU of 6uaz by Molmil
Crystal structure of a GH128 (subgroup III) curdlan-specific exo-beta-1,3-glucanase from Blastomyces gilchristii (BgGH128_III) in complex with glucose
Descriptor: Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose
Authors:Costa, P.A.C.R, Santos, C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UB5
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BU of 6ub5 by Molmil
Crystal structure (P21 form) of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV) in complex with laminaritriose
Descriptor: CHLORIDE ION, Endo-beta-1,3-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
Authors:Santos, C.R, Lima, E.A, Mandelli, F, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UBA
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BU of 6uba by Molmil
Crystal structure of a GH128 (subgroup VI) exo-beta-1,3-glucanase from Aureobasidium namibiae (AnGH128_VI) in complex with laminaritriose
Descriptor: Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Santos, C.R, Vieira, P.S, Domingues, M.N, Cordeiro, R.L, Tomazini, A, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6VC8
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BU of 6vc8 by Molmil
Crystal structure of wild-type KRAS4b(1-169) in complex with GMPPNP and Mg ion
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Tran, T.H, Davies, D.R, Edwards, T.E, Simanshu, D.K.
Deposit date:2019-12-20
Release date:2021-02-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Machine learning-driven multiscale modeling reveals lipid-dependent dynamics of RAS signaling proteins.
Proc.Natl.Acad.Sci.USA, 119, 2022
6V4V
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BU of 6v4v by Molmil
The crystal structure of BonA from Acinetobacter baumannii
Descriptor: BON domain protein, ZINC ION
Authors:Grinter, R.
Deposit date:2019-12-02
Release date:2021-06-02
Last modified:2021-08-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:BonA from Acinetobacter baumannii Forms a Divisome-Localized Decamer That Supports Outer Envelope Function.
Mbio, 2021
6FZ3
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BU of 6fz3 by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
Descriptor: 2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ...
Authors:Kersten, F.C, Brenk, R.
Deposit date:2018-03-13
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 63, 2020
6FZ2
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BU of 6fz2 by Molmil
Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and inhibitor bound
Descriptor: GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, MAGNESIUM ION, ...
Authors:Kersten, F.C, Brenk, R, Jaenicke, E.
Deposit date:2018-03-13
Release date:2019-03-27
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:How To Design Selective Ligands for Highly Conserved Binding Sites: A Case Study UsingN-Myristoyltransferases as a Model System.
J.Med.Chem., 63, 2020
4BN1
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BU of 4bn1 by Molmil
Crystal structure of V174M mutant of Aurora-A kinase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, AURORA KINASE A, CALCIUM ION
Authors:Bibby, R.A, Bayliss, R.
Deposit date:2013-05-13
Release date:2014-03-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.499 Å)
Cite:Insights Into Aurora-A Kinase Activation Using Unnatural Amino Acids Incorporated by Chemical Modification.
Acs Chem.Biol., 8, 2013
2I9H
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BU of 2i9h by Molmil
NMR solution structure of the reduced form of thioredoxin 1 from yeast (Trx1)
Descriptor: Thioredoxin I
Authors:Pinheiro, A.S, Amorim, G.C, Almeida, F.C.L, Valente, A.P.
Deposit date:2006-09-05
Release date:2007-07-17
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:NMR solution structure of the reduced form of thioredoxin 1 from Sacharomyces cerevisiae
Proteins, 70, 2008
4D7I
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BU of 4d7i by Molmil
Structure of Bacillus subtilis nitric oxide synthase I218V in complex with 6-(4-(((3-Fluorophenethyl)amino)methyl)phenyl)-4-methylpyridin-2- amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine, CHLORIDE ION, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-11-25
Release date:2015-07-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Nitric Oxide Synthase as a Target for Methicillin-Resistant Staphylococcus Aureus
Chem.Biol., 22, 2015
4D7J
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BU of 4d7j by Molmil
Structure of Bacillus subtilis nitric oxide synthase in complex with 6-(4-(((3-Fluorophenethyl)amino)methyl)phenyl)-4-methylpyridin-2- amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine, CHLORIDE ION, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-11-25
Release date:2015-07-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Nitric Oxide Synthase as a Target for Methicillin-Resistant Staphylococcus Aureus.
Chem.Biol., 22, 2015
4D7H
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BU of 4d7h by Molmil
Structure of Bacillus subtilis nitric oxide synthase in complex with 7-(2-(3-(3-Fluorophenyl(propylamino)ethyl))quinolin-2- amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 7-[2-[3-(3-fluorophenyl)propylamino]ethyl]quinolin-2-amine, CHLORIDE ION, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2014-11-25
Release date:2015-07-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Nitric Oxide Synthase as a Target for Methicillin-Resistant Staphylococcus Aureus
Chem.Biol., 22, 2015
4D7O
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BU of 4d7o by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(4-(((3-Fluorophenethyl)amino)methyl)phenyl)-4- methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[4-({[2-(3-fluorophenyl)ethyl]amino}methyl)phenyl]-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-11-25
Release date:2015-07-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Nitric Oxide Synthase as a Target for Methicillin-Resistant Staphylococcus Aureus
Chem.Biol., 22, 2015
4EWX
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BU of 4ewx by Molmil
Human Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
Deposit date:2012-04-28
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4EXX
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BU of 4exx by Molmil
Human Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
Deposit date:2012-05-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4EY1
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BU of 4ey1 by Molmil
Human Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
Deposit date:2012-05-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.471 Å)
Cite:Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013

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