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4MPB
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BU of 4mpb by Molmil
1.7 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) from Staphylococcus aureus
Descriptor: Betaine aldehyde dehydrogenase, CHLORIDE ION, MAGNESIUM ION
Authors:Halavaty, A.S, Shuvalova, L, Minasov, G, Dubrovska, I, Winsor, J, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-12
Release date:2013-09-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-based mutational studies of substrate inhibition of betaine aldehyde dehydrogenase BetB from Staphylococcus aureus.
Appl.Environ.Microbiol., 80, 2014
4EFH
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BU of 4efh by Molmil
Acanthamoeba Actin complex with Spir domain D
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin-1, CALCIUM ION, ...
Authors:Chen, C, Phillips, M, Sawaya, M.R, Quinlan, M.E.
Deposit date:2012-03-29
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Multiple Forms of Spire-Actin Complexes and their Functional Consequences.
J.Biol.Chem., 287, 2012
4AP6
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BU of 4ap6 by Molmil
Crystal structure of human POFUT2 E54A mutant in complex with GDP- fucose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 2, ...
Authors:Chen, C, Keusch, J.J, Klein, D, Hess, D, Hofsteenge, J, Gut, H.
Deposit date:2012-03-30
Release date:2012-08-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:Structure of Human Pofut2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation.
Embo J., 31, 2012
4AP5
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BU of 4ap5 by Molmil
Crystal structure of human POFUT2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 2, ...
Authors:Chen, C, Keusch, J.J, Klein, D, Hess, D, Hofsteenge, J, Gut, H.
Deposit date:2012-03-30
Release date:2012-08-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Structure of Human Pofut2: Insights Into Thrombospondin Type 1 Repeat Fold and O-Fucosylation.
Embo J., 31, 2012
4JDK
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BU of 4jdk by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 F461V mutant in complex with Paktide S peptide substrate
Descriptor: Paktide S, Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2013-02-25
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
4JCN
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BU of 4jcn by Molmil
Structure of ESP, serine protease from Staphylococcus epidermidis
Descriptor: Glutamyl endopeptidase
Authors:Krishnan, V, Sthanam, V.L.N.
Deposit date:2013-02-22
Release date:2013-09-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Secreted proteases control autolysin-mediated biofilm growth of Staphylococcus aureus
J.Biol.Chem., 288, 2013
4JDH
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BU of 4jdh by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide T peptide substrate
Descriptor: Paktide T, Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2013-02-25
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
4JDI
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BU of 4jdi by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 in complex with Paktide S peptide substrate
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Paktide S, ...
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2013-02-25
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
4JDJ
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BU of 4jdj by Molmil
Crystal structure of Serine/threonine-protein kinase PAK 4 F461V mutant in complex with Paktide T peptide substrate
Descriptor: Paktide T, Serine/threonine-protein kinase PAK 4
Authors:Ha, B.H, Boggon, T.J.
Deposit date:2013-02-25
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of a major determinant for serine-threonine kinase phosphoacceptor specificity.
Mol.Cell, 53, 2014
7WNJ
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BU of 7wnj by Molmil
Crystal structure and Cap Binding analysis of the methyltransferase of Langat virus
Descriptor: Core protein, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Chen, C, Ruixue, L.
Deposit date:2022-01-18
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of NS5 Methyltransferase from Zika Virus
To Be Published
7W5H
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BU of 7w5h by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FsPP
Descriptor: GLYCEROL, MAGNESIUM ION, MALONATE ION, ...
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5I
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BU of 7w5i by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FPP-1
Descriptor: FARNESYL DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5G
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BU of 7w5g by Molmil
The apo structure of trichobrasilenol synthase TaTC6 with the space group of orthorhombic
Descriptor: GLYCEROL, SULFATE ION, Terpene cyclase 6
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5F
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BU of 7w5f by Molmil
The apo structure of trichobrasilenol synthase TaTC6 with the space group of monoclinic
Descriptor: MAGNESIUM ION, Terpene cyclase 6
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5J
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BU of 7w5j by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FPP-2
Descriptor: FARNESYL, FARNESYL DIPHOSPHATE, GLYCEROL, ...
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
2R82
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BU of 2r82 by Molmil
Pyruvate phosphate dikinase (PPDK) triple mutant R219E/E271R/S262D adapts a second conformational state
Descriptor: Pyruvate, phosphate dikinase, SULFATE ION
Authors:Lim, K, Read, R.J, Chen, C.C, Herzberg, O.
Deposit date:2007-09-10
Release date:2008-01-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Swiveling domain mechanism in pyruvate phosphate dikinase.
Biochemistry, 46, 2007
6XDG
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BU of 6xdg by Molmil
Complex of SARS-CoV-2 receptor binding domain with the Fab fragments of two neutralizing antibodies
Descriptor: REGN10933 antibody Fab fragment heavy chain, REGN10933 antibody Fab fragment light chain, REGN10987 antibody Fab fragment heavy chain, ...
Authors:Franklin, M.C, Saotome, K, Romero Hernandez, A, Zhou, Y.
Deposit date:2020-06-10
Release date:2020-06-24
Last modified:2021-01-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Studies in humanized mice and convalescent humans yield a SARS-CoV-2 antibody cocktail.
Science, 369, 2020
3BOS
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BU of 3bos by Molmil
Crystal structure of a putative dna replication regulator HDA (SAMA_1916) from Shewanella amazonensis sb2b at 1.75 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CYTIDINE-5'-DIPHOSPHATE, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-12-17
Release date:2008-01-15
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A structural basis for the regulatory inactivation of DnaA.
J.Mol.Biol., 385, 2009
2QTP
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BU of 2qtp by Molmil
Crystal structure of a duf1185 family protein (spo0826) from silicibacter pomeroyi dss-3 at 2.10 A resolution
Descriptor: Uncharacterized protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2007-08-02
Release date:2007-08-21
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of the first representatives of Pfam family PF06684 (DUF1185) reveal a novel variant of the Bacillus chorismate mutase fold and suggest a role in amino-acid metabolism.
Acta Crystallogr.,Sect.F, 66, 2010
5J87
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BU of 5j87 by Molmil
Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a Highly Selective Irreversible BTK Kinase Inhibitor
Descriptor: N-[3-(5-{[3-(acryloylamino)-4-(morpholine-4-carbonyl)phenyl]amino}-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl]-4-tert-butylbenzamide, Tyrosine-protein kinase BTK
Authors:Yun, C.H, Zhang, S.
Deposit date:2016-04-07
Release date:2017-04-19
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Discovery of N-(3-(5-((3-acrylamido-4-(morpholine-4-carbonyl)phenyl)amino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-methylphenyl)-4-(tert-butyl)benzamide (CHMFL-BTK-01) as a highly selective irreversible Bruton's tyrosine kinase (BTK) inhibitor.
Eur J Med Chem, 131, 2017
6E40
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BU of 6e40 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenase 1 (IDO1) in complexed with ferric heme and Epacadostat
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Luo, S, Tong, L.
Deposit date:2018-07-16
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.306 Å)
Cite:High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E42
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BU of 6e42 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and 4-Chlorophenyl imidazole
Descriptor: 4-(3-chlorophenyl)-1H-imidazole, Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, ...
Authors:Luo, S, Tong, L.
Deposit date:2018-07-16
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.103 Å)
Cite:High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E41
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BU of 6e41 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) in complex with ferric heme and an Epacadostat analog
Descriptor: Indoleamine 2,3-dioxygenase 1, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Luo, S, Tong, L.
Deposit date:2018-07-16
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.291 Å)
Cite:High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E43
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BU of 6e43 by Molmil
Crystal structure of human indoleamine 2,3-dioxygenase 1 (IDO1) in complex with a BMS-978587 analog
Descriptor: (1R,2S)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid, BENZOIC ACID, Indoleamine 2,3-dioxygenase 1
Authors:Luo, S, Tong, L.
Deposit date:2018-07-16
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.705 Å)
Cite:High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6E45
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BU of 6e45 by Molmil
CRYSTAL STRUCTURE OF HUMAN INDOLEAMINE 2,3-DIOXYGENASE 1 (IDO1) free enzyme in the ferrous state
Descriptor: GLYCEROL, Indoleamine 2,3-dioxygenase 1, PHOSPHATE ION, ...
Authors:Luo, S, Tong, L.
Deposit date:2018-07-16
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structures of inhibitor complexes of human indoleamine 2,3-dioxygenase 1 in a new crystal form.
Acta Crystallogr F Struct Biol Commun, 74, 2018

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