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1KHY
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BU of 1khy by Molmil
The Crystal Structure of ClpB N Terminal Domain, Implication to the Peptide Binding Function of ClpB
Descriptor: CLPB PROTEIN
Authors:Jingzhi, L, Bingdong, S.
Deposit date:2001-12-01
Release date:2002-12-04
Last modified:2021-07-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of E. coli Hsp100 ClpB N Terminal Domain, Implication to Peptide Binding Function of ClpB
To be Published
4S1W
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BU of 4s1w by Molmil
Structure of a putative Glutamine--Fructose-6-Phosphate Aminotransferase from Staphylococcus aureus subsp. aureus Mu50
Descriptor: DI(HYDROXYETHYL)ETHER, Glutamine--fructose-6-phosphate aminotransferase [isomerizing]
Authors:Filippova, E.V, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2015-01-15
Release date:2015-03-18
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of a putative Glutamine--Fructose-6-Phosphate Aminotransferase from Staphylococcus aureus subsp. aureus Mu50
To be Published
6YSP
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BU of 6ysp by Molmil
Arabidopsis aspartate transcarbamoylase complex with PALA and carbamoyl phosphate
Descriptor: GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-04-23
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YW9
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BU of 6yw9 by Molmil
Arabidopsis aspartate transcarbamoylase mutant F161A complex with PALA
Descriptor: GLYCEROL, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, PYRB
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-04-29
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
5F5N
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BU of 5f5n by Molmil
The structure of monooxygenase KstA11 in complex with NAD and its substrate
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, MAGNESIUM ION, ...
Authors:Pan, L, Gong, Y.
Deposit date:2015-12-04
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.304 Å)
Cite:Hydroxyl regioisomerization of anthracycline catalyzed by a four-enzyme cascade
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6YVB
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BU of 6yvb by Molmil
Arabidopsis aspartate transcarbamoylase complex with carbamoyl phosphate
Descriptor: ACETATE ION, GLYCEROL, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-04-28
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.826 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YSY
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BU of 6ysy by Molmil
Skeletal Myosin bound to MPH-220, MgADP-VO4
Descriptor: (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Canon, L, Kikuti, C.M, Gyimesi, M, Malnasi-Csizmadia, A, Houdusse, A.
Deposit date:2020-04-23
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.246 Å)
Cite:Single Residue Variation in Skeletal Muscle Myosin Enables Direct and Selective Drug Targeting for Spasticity and Muscle Stiffness.
Cell, 183, 2020
6YY1
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BU of 6yy1 by Molmil
Arabidopsis aspartate transcarbamoylase in apo state
Descriptor: GLYCEROL, PYRB
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-05-04
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YWJ
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BU of 6ywj by Molmil
Arabidopsis aspartate transcarbamoylase mutant F161A complex with UMP
Descriptor: GLYCEROL, PYRB, URIDINE-5'-MONOPHOSPHATE
Authors:Ramon Maiques, S, Del Cano Ochoa, F, Bellin, L, Mohlmann, T.
Deposit date:2020-04-29
Release date:2021-03-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Mechanisms of feedback inhibition and sequential firing of active sites in plant aspartate transcarbamoylase.
Nat Commun, 12, 2021
6YYW
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BU of 6yyw by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: 2-OXOGLUTARIC ACID, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
7OJO
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BU of 7ojo by Molmil
Tankyrase 2 in complex with two small molecule fragments
Descriptor: 4-acetamido-~{N}-(2-methoxyphenyl)benzamide, Poly [ADP-ribose] polymerase tankyrase-2, SULFATE ION, ...
Authors:Sowa, S.T, Lehtio, L.
Deposit date:2021-05-17
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Tankyrase 2 in complex with an inhibitor (OM-153)
To Be Published
6YYY
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BU of 6yyy by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 4,4-dimethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: 2,2-dimethyl-4-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
8C27
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BU of 8c27 by Molmil
Domain 3 of Group B Streptococcus pilus protein as scaffold for the display of foreign epitopes
Descriptor: 1,2-ETHANEDIOL, PI-2a backbone protein
Authors:Veggi, D, Cappelli, L, Cozzi, R.
Deposit date:2022-12-21
Release date:2024-01-10
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Computational structure-based approach to study chimeric antigens using a new protein scaffold displaying foreign epitopes.
Faseb J., 38, 2024
6Z6Q
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BU of 6z6q by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, 3-ethyl-2-oxoglutarate, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: (3~{R})-3-ethyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-29
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
8C5L
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BU of 8c5l by Molmil
NR2F6 ligand binding domain in complex with NSD1 peptide
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-36 specific, Maltose/maltodextrin-binding periplasmic protein,Nuclear receptor subfamily 2 group F member 6, ...
Authors:Oerlemans, G.J.M, van den Oetelaar, M.C.M, Brunsveld, L.
Deposit date:2023-01-09
Release date:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural insights into coregulator recruitment to the autorepressed NR2F6 nuclear receptor
To Be Published
6YYV
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BU of 6yyv by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese and 3-methyl-2-oxoglutarate
Descriptor: (3~{R})-3-methyl-2-oxidanylidene-pentanedioic acid, Aspartyl/asparaginyl beta-hydroxylase, MANGANESE (II) ION
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
2VF9
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BU of 2vf9 by Molmil
Crystal structure of bacteriophage PRR1
Descriptor: CALCIUM ION, COAT PROTEIN
Authors:Persson, M, Tars, K, Liljas, L.
Deposit date:2007-11-01
Release date:2008-09-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:The Capsid of the Small RNA Phage Prr1 is Stabilized by Metal Ions
J.Mol.Biol., 383, 2008
6Z6R
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BU of 6z6r by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese, N-oxalyl-alpha-methylalanine, and factor X substrate peptide fragment(39mer-4Ser)
Descriptor: Aspartyl/asparaginyl beta-hydroxylase, BROMIDE ION, Coagulation factor X, ...
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-29
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
4RZF
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BU of 4rzf by Molmil
Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T.
Deposit date:2014-12-21
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
2V8Q
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BU of 2v8q by Molmil
Crystal structure of the regulatory fragment of mammalian AMPK in complexes with AMP
Descriptor: 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ...
Authors:Xiao, B, Heath, R, Saiu, P, Leiper, F.C, Leone, P, Jing, C, Walker, P.A, Haire, L, Eccleston, J.F, Davis, C.T, Martin, S.R, Carling, D, Gamblin, S.J.
Deposit date:2007-08-13
Release date:2007-09-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for AMP Binding to Mammalian AMP-Activated Protein Kinase
Nature, 449, 2007
6YYU
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BU of 6yyu by Molmil
Aspartyl/Asparaginyl beta-hydroxylase (AspH) oxygenase and TPR domains in complex with manganese and 2-oxoglutarate
Descriptor: 2-OXOGLUTARIC ACID, Aspartyl/asparaginyl beta-hydroxylase, MANGANESE (II) ION
Authors:Nakashima, Y, Brewitz, L, Schofield, C.J.
Deposit date:2020-05-06
Release date:2021-03-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Synthesis of 2-oxoglutarate derivatives and their evaluation as cosubstrates and inhibitors of human aspartate/asparagine-beta-hydroxylase.
Chem Sci, 12, 2020
2VDE
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BU of 2vde by Molmil
Crystal Structure of the Open State of TolC Outer Membrane Component of Mutlidrug Efflux Pumps
Descriptor: CHLORIDE ION, OUTER MEMBRANE PROTEIN TOLC
Authors:Bavro, V.N, Pietras, Z, Furnham, N, Perez-Cano, L, Fernandez-Recio, J, Pei, X.Y, Truer, R, Misra, R, Luisi, B.
Deposit date:2007-10-04
Release date:2008-04-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Assembly and Channel Opening in a Bacterial Drug Efflux Machine.
Mol.Cell, 30, 2008
4S1F
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BU of 4s1f by Molmil
Fructose-6-phosphate aldolase A from E.coli soaked in acetylacetone
Descriptor: Fructose-6-phosphate aldolase 1, pentane-2,4-dione
Authors:Stellmacher, L, Sandalova, T, Leptihn, S, Schneider, G, Sprenger, G.A, Samland, A.K.
Deposit date:2015-01-13
Release date:2015-10-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.242 Å)
Cite:Acid Base Catalyst Discriminates between a Fructose 6-Phosphate Aldolase and a Transaldolase
ChemCatChem, 2015
1KO9
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BU of 1ko9 by Molmil
Native Structure of the Human 8-oxoguanine DNA Glycosylase hOGG1
Descriptor: 8-oxoguanine DNA glycosylase, SULFATE ION
Authors:Bjoras, M, Seeberg, E, Luna, L, Pearl, L.H, Barrett, T.E.
Deposit date:2001-12-20
Release date:2002-01-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Reciprocal "flipping" underlies substrate recognition and catalytic activation by the human 8-oxo-guanine DNA glycosylase.
J.Mol.Biol., 317, 2002
5FP1
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BU of 5fp1 by Molmil
Crystal structure of the siderophore receptor PiuA from Acinetobacter baumannii
Descriptor: (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, PHOSPHATE ION, TONB-DEPENDENT SIDEROPHORE RECEPTOR
Authors:Moynie, L, Tortajada, A, Naismith, J.H.
Deposit date:2015-11-26
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structure and Function of the PiuA and PirA Siderophore-Drug Receptors from Pseudomonas aeruginosa and Acinetobacter baumannii.
Antimicrob. Agents Chemother., 61, 2017

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