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4C9L
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BU of 4c9l by Molmil
Structure of Cyanide and Camphor bound wild type CYP101D1
Descriptor: CAMPHOR, CYANIDE ION, CYTOCHROME P450, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Crystal Structures and Functional Characterization of Wild Type and Active Sites Mutants of Cyp101D1.
Biochemistry, 52, 2013
4C9O
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Structure of Cyanide and Camphor bound D259N mutant of CYP101D1
Descriptor: CAMPHOR, CYANIDE ION, CYTOCHROME P450, ...
Authors:Batabyal, D, L Poulos, T.
Deposit date:2013-10-02
Release date:2013-12-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.977 Å)
Cite:Crystal Structures and Functional Characterization of Wild-Type Cyp101D1 and its Active Site Mutants.
Biochemistry, 52, 2013
1T88
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Crystal Structure of the Ferrous Cytochrome P450cam (C334A)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, Cytochrome P450-cam, ...
Authors:Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L.
Deposit date:2004-05-11
Release date:2004-05-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding.
J.Biol.Chem., 279, 2004
1T87
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BU of 1t87 by Molmil
Crystal Structure of the Ferrous CO-bound Cytochrome P450cam (C334A)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CAMPHOR, CARBON MONOXIDE, ...
Authors:Nagano, S, Tosha, T, Ishimori, K, Morishima, I, Poulos, T.L.
Deposit date:2004-05-11
Release date:2004-05-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of the cytochrome p450cam mutant that exhibits the same spectral perturbations induced by putidaredoxin binding.
J.Biol.Chem., 279, 2004
1PI5
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BU of 1pi5 by Molmil
Structure of N289A mutant of AmpC in complex with SM2, carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Roth, T.A, Minasov, G, Focia, P.J, Shoichet, B.K.
Deposit date:2003-05-29
Release date:2004-02-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Thermodynamic cycle analysis and inhibitor design against beta-lactamase.
Biochemistry, 42, 2003
1PI4
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Structure of N289A mutant of AmpC in complex with SM3, a phenylglyclboronic acid bearing the cephalothin R1 side chain
Descriptor: (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Roth, T.A, Minasov, G, Focia, P.J, Shoichet, B.K.
Deposit date:2003-05-29
Release date:2004-02-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Thermodynamic cycle analysis and inhibitor design against beta-lactamase.
Biochemistry, 42, 2003
7KEL
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BU of 7kel by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H59K mutant with pyruvate bound in the active site
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Sanders, D.A.R.
Deposit date:2020-10-11
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Reversing the roles of a crucial hydrogen-bonding pair: a lysine-insensitive mutant of Campylobacter jejuni dihydrodipicolinate synthase, H59K, binds histidine in its allosteric site
To Be Published
7KG9
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BU of 7kg9 by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56W mutant with pyruvate bound in the active site and L-lysine bound at the allosteric site
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Majdi Yazdi, M, Sanders, D.A.R.
Deposit date:2020-10-16
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Fluorescence-based Assay Development for Screening Novel Inhibitors of Dihydrodipicolinate Synthase from Campylobacter jejuni
To Be Published
7KH4
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Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56W mutant with pyruvate bound in the active site and R,R-bislysine bound at the allosteric site
Descriptor: (2R,5R)-2,5-diamino-2,5-bis(4-aminobutyl)hexanedioic acid, 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ...
Authors:Saran, S, Majdi Yazdi, M, Sanders, D.A.R.
Deposit date:2020-10-19
Release date:2021-10-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Fluorescence-based Assay Development for Screening Novel Inhibitors of Dihydrodipicolinate Synthase from Campylobacter jejuni
To Be Published
7KG2
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BU of 7kg2 by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H59K mutant with pyruvate bound in the active site and L-histidine bound at the allosteric site
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Majdi Yazdi, M, Sanders, D.A.R.
Deposit date:2020-10-15
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Reversing the roles of a crucial hydrogen-bonding pair: a lysine-insensitive mutant of Campylobacter jejuni dihydrodipicolinate synthase, H59K, binds histidine in its allosteric site
To be Published
7KG5
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BU of 7kg5 by Molmil
Dihydrodipicolinate synthase (DHDPS) from C.jejuni, H56W mutant with pyruvate bound in the active site
Descriptor: 1,2-ETHANEDIOL, 4-hydroxy-tetrahydrodipicolinate synthase, ACETATE ION, ...
Authors:Saran, S, Majdi Yazdi, M, Sanders, D.A.R.
Deposit date:2020-10-15
Release date:2021-10-20
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Fluorescence-based Assay Development for Screening Novel Inhibitors of Dihydrodipicolinate Synthase from Campylobacter jejuni
To Be Published
7ADX
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BU of 7adx by Molmil
SFX structure of dehaloperoxidase B in the oxyferrous form
Descriptor: Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Moreno Chicano, T, Ebrahim, A, Worrall, J.W, Axford, D.A, Owada, S, Tosha, T, Sugimoto, H, Strange, R.W, Owen, R.L, Hough, M.A.
Deposit date:2020-09-16
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:SFX structure of dehaloperoxidase B from Amphitrite ornata in the oxyferrous form
To Be Published
7T8F
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BU of 7t8f by Molmil
G93A mutant of human SOD1 bound with Ebselen in P21 space group
Descriptor: ACETATE ION, N-phenyl-2-selanylbenzamide, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
7T8E
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BU of 7t8e by Molmil
G93A mutant of human SOD1 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
7T8G
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BU of 7t8g by Molmil
G93A mutant of human SOD1 bound with MR6-8-2 in P21 space group
Descriptor: ACETATE ION, SELENIUM ATOM, SULFATE ION, ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
7T8H
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BU of 7t8h by Molmil
G93A mutant of human SOD1 bound with MR6-26-2 in P21 space group
Descriptor: ACETATE ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ...
Authors:Amporndanai, K, Hasnain, S.S.
Deposit date:2021-12-16
Release date:2023-01-25
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Ebselen analogues delay disease onset and its course in fALS by on-target SOD-1 engagement.
Sci Rep, 14, 2024
2OPC
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BU of 2opc by Molmil
Structure of Melampsora lini avirulence protein, AvrL567-A
Descriptor: AvrL567-A, COBALT (II) ION, IMIDAZOLE
Authors:Guncar, G, Wang, C.I, Forwood, J.K, Teh, T, Catanzariti, A.M, Ellis, J.G, Dodds, P.N, Kobe, B.
Deposit date:2007-01-29
Release date:2007-03-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:The use of Co2+ for crystallization and structure determination, using a conventional monochromatic X-ray source, of flax rust avirulence protein.
Acta Crystallogr.,Sect.F, 63, 2007
6T1Q
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BU of 6t1q by Molmil
3C-like protease from Southampton norovirus.
Descriptor: Genome polyprotein
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-05
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6VYJ
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BU of 6vyj by Molmil
Human UHRF1 TTD domain in complex with a fragment
Descriptor: 2,4-dimethylpyridine, E3 ubiquitin-protein ligase UHRF1, beta-D-glucopyranose
Authors:Campbell, J.C, Chang, L, Young, D.W.
Deposit date:2020-02-26
Release date:2021-01-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery.
Sci Rep, 11, 2021
6W92
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BU of 6w92 by Molmil
Human UHRF1 TTD domain
Descriptor: E3 ubiquitin-protein ligase UHRF1
Authors:Campbell, J.C, Chang, L, Sankaran, B, Young, D.W.
Deposit date:2020-03-21
Release date:2021-02-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Discovery of small molecules targeting the tandem tudor domain of the epigenetic factor UHRF1 using fragment-based ligand discovery.
Sci Rep, 11, 2021
6T6W
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BU of 6t6w by Molmil
3C-like protease from Southampton virus complexed with XST00000692b.
Descriptor: 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-19
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TCF
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BU of 6tcf by Molmil
3C-like protease from Southampton virus complexed with XST00000642b.
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-05
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T8T
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BU of 6t8t by Molmil
3C-like protease from Southampton virus complexed with FMOPL000603a.
Descriptor: 2-(4-ethoxyphenyl)ethanoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-24
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TC1
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BU of 6tc1 by Molmil
3C-like protease from Southampton virus complexed with FMOPL000283a.
Descriptor: 5-ethyl-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, Genome polyprotein
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-04
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TGL
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BU of 6tgl by Molmil
3c-like protease from Southampton virus complexed with FMOPL000644a.
Descriptor: DIMETHYL SULFOXIDE, Genome polyprotein, PHOSPHATE ION, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-16
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020

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