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7LD2
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BU of 7ld2 by Molmil
Zoogloea ramigera biosynthetic thiolase Q183Y mutant, RbCl soak
Descriptor: Acetyl-CoA acetyltransferase, CHLORIDE ION, COENZYME A, ...
Authors:Marshall, A.C, Bruning, J.B.
Deposit date:2021-01-12
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Engineering potassium activation into biosynthetic thiolase.
Biochem.J., 478, 2021
7LDC
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BU of 7ldc by Molmil
Zoogloea ramigera biosynthetic thiolase Q183Y/Y218E mutant
Descriptor: Acetyl-CoA acetyltransferase, COENZYME A, SULFATE ION
Authors:Marshall, A.C, Bruning, J.B.
Deposit date:2021-01-13
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Engineering potassium activation into biosynthetic thiolase.
Biochem.J., 478, 2021
7LDT
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BU of 7ldt by Molmil
Zoogloea ramigera biosynthetic thiolase Q183Y/Y218E mutant, RbCl soak
Descriptor: Acetyl-CoA acetyltransferase, COENZYME A, RUBIDIUM ION, ...
Authors:Marshall, A.C, Bruning, J.B.
Deposit date:2021-01-14
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Engineering potassium activation into biosynthetic thiolase.
Biochem.J., 478, 2021
7LCL
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BU of 7lcl by Molmil
Zoogloea ramigera biosynthetic thiolase Q183Y mutant
Descriptor: AMMONIUM ION, Acetyl-CoA acetyltransferase, COENZYME A, ...
Authors:Marshall, A.C, Bruning, J.B.
Deposit date:2021-01-11
Release date:2021-09-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.295 Å)
Cite:Engineering potassium activation into biosynthetic thiolase.
Biochem.J., 478, 2021
7L1J
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BU of 7l1j by Molmil
Mycobacterium tuberculosis dethiobiotin synthetase in complex with Tetrazole 1
Descriptor: ATP-dependent dethiobiotin synthetase BioD, GLYCEROL, SULFATE ION, ...
Authors:Pederick, J.L, Bruning, J.B.
Deposit date:2020-12-14
Release date:2021-10-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Inhibition of Mycobacterium tuberculosis Dethiobiotin Synthase ( Mt DTBS): Toward Next-Generation Antituberculosis Agents.
Acs Chem.Biol., 16, 2021
7M5M
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BU of 7m5m by Molmil
PCNA bound to peptide mimetic
Descriptor: N-BUTANE, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2021-03-24
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:A cell permeable bimane-constrained PCNA-interacting peptide.
Rsc Chem Biol, 2, 2021
7M5L
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BU of 7m5l by Molmil
PCNA bound to peptide mimetic with linker
Descriptor: PROPANE, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2021-03-24
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3 Å)
Cite:A cell permeable bimane-constrained PCNA-interacting peptide.
Rsc Chem Biol, 2, 2021
7M5N
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BU of 7m5n by Molmil
PCNA bound to peptide mimetic with linker
Descriptor: 1,3-dimethylbenzene, Peptide mimetic (ACE)RQCSMTCFYHSK(NH2) with linker, Proliferating cell nuclear antigen
Authors:Vandborg, B.A, Bruning, J.B.
Deposit date:2021-03-24
Release date:2021-08-11
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:A cell permeable bimane-constrained PCNA-interacting peptide.
Rsc Chem Biol, 2, 2021
3OS8
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BU of 3os8 by Molmil
Estrogen Receptor
Descriptor: 4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor
Authors:Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2010-09-08
Release date:2010-11-10
Last modified:2021-10-06
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
3OSA
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BU of 3osa by Molmil
Estrogen Receptor
Descriptor: 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor
Authors:Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2010-09-08
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.296 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
3OS9
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BU of 3os9 by Molmil
Estrogen Receptor
Descriptor: 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor
Authors:Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W.
Deposit date:2010-09-08
Release date:2010-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
2B23
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BU of 2b23 by Molmil
Human estrogen receptor alpha ligand-binding domain and a glucocorticoid receptor-interacting protein 1 NR box II peptide
Descriptor: Estrogen receptor, Nuclear receptor coactivator 2
Authors:Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L.
Deposit date:2005-09-16
Release date:2006-09-19
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:NFkappaB selectivity of estrogen receptor ligands revealed by comparative crystallographic analyses
Nat.Chem.Biol., 4, 2008
8TAW
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BU of 8taw by Molmil
The crystal structure of T252E CYP199A4 bound to 4-(pyridin-2-yl)benzoic acid
Descriptor: 4-(pyridin-2-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-06-28
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TAY
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BU of 8tay by Molmil
The crystal structure of T252E CYP199A4 bound to 4-(thiophen-3-yl)benzoic acid
Descriptor: 4-(thiophen-3-yl)benzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-06-28
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.021 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8TNK
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BU of 8tnk by Molmil
The crystal structure of the T252E mutant of CYP199A4 bound to 4-benzylbenzoic acid
Descriptor: 4-benzylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2023-08-02
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Characterisation of the heme aqua-ligand coordination environment in an engineered peroxygenase cytochrome P450 variant.
J.Inorg.Biochem., 249, 2023
8D39
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BU of 8d39 by Molmil
The crystal structure of WT CYP199A4 bound to 4-benzoylbenzoic acid
Descriptor: 4-benzoylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2022-06-01
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.268 Å)
Cite:Enabling Aromatic Hydroxylation in a Cytochrome P450 Monooxygenase Enzyme through Protein Engineering.
Chemistry, 28, 2022
8DYB
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BU of 8dyb by Molmil
The crystal structure of the T252A mutant of CYP199A4 bound to 4-methylthiobenzoic acid
Descriptor: 4-methylsulfanylbenzoic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Coleman, T, Bell, S.G.
Deposit date:2022-08-03
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 2022
5V39
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BU of 5v39 by Molmil
Crystal structure of human vitamin D receptor ligand binding domain in complex with a VDRM
Descriptor: 5-(3-{4-[(2S)-2-hydroxy-3,3-dimethylbutoxy]-3-methylphenyl}pentan-3-yl)-3-methyl-N-(1H-tetrazol-5-yl)thiophene-2-carboxamide, Vitamin D3 receptor
Authors:Wang, Y, Pelletier, L.
Deposit date:2017-03-06
Release date:2018-03-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:HDX reveals the conformational dynamics of DNA sequence specific VDR co-activator interactions.
Nat Commun, 8, 2017
7SH5
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BU of 7sh5 by Molmil
Crystal structure of CYP142A3 from Mycobacterium ulcerans bound to Cholest-4-en-3-one
Descriptor: (8ALPHA,9BETA)-CHOLEST-4-EN-3-ONE, ACETATE ION, Cytochrome P450 142A3, ...
Authors:Doherty, D.Z, Bell, S.G, Bruning, J.
Deposit date:2021-10-08
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:The Structures of the Steroid Binding CYP142 Cytochrome P450 Enzymes from Mycobacterium ulcerans and Mycobacterium marinum.
Acs Infect Dis., 8, 2022
7R8S
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BU of 7r8s by Molmil
The crystal structure of CYP199A4 bound to 4-n-propylbenzoic acid
Descriptor: 4-propylbenzoic acid, CHLORIDE ION, Cytochrome P450, ...
Authors:Podgorski, M.N, Bell, S.G.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.366 Å)
Cite:Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation.
Chem Asian J, 17, 2022
6CEJ
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BU of 6cej by Molmil
Solution structure of a 14mer fragment of the p21 protein
Descriptor: Cyclin-dependent kinase inhibitor 1
Authors:Wegener, K.L.
Deposit date:2018-02-12
Release date:2018-07-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp.
Chemistry, 24, 2018
6CIX
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BU of 6cix by Molmil
Lactam cyclised mimetic of a fragment of p21
Descriptor: p21
Authors:Wegener, K.L.
Deposit date:2018-02-25
Release date:2018-07-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp.
Chemistry, 24, 2018
6CIV
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BU of 6civ by Molmil
Lactam cyclised mimetic of a fragment of p21
Descriptor: p21
Authors:Wegener, K.L.
Deposit date:2018-02-25
Release date:2018-07-04
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Rational Design of a 310-Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp.
Chemistry, 24, 2018
3D6D
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BU of 3d6d by Molmil
Crystal Structure of the complex between PPARgamma LBD and the LT175(R-enantiomer)
Descriptor: (2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid, Peroxisome proliferator-activated receptor gamma
Authors:Pochetti, G, Montanari, R.
Deposit date:2008-05-19
Release date:2008-12-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal Structure of the Peroxisome Proliferator-Activated Receptor gamma (PPARgamma) Ligand Binding Domain Complexed with a Novel Partial Agonist: A New Region of the Hydrophobic Pocket Could Be Exploited for Drug Design
J.Med.Chem., 51, 2008
6O43
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BU of 6o43 by Molmil
Crystal structure of a lysin protein from Staphylococcus phage P68
Descriptor: 5-amino-2,4,6-triiodobenzene-1,3-dicarboxylic acid, Orf11
Authors:Truong, J.Q.
Deposit date:2019-02-27
Release date:2019-07-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.08222985 Å)
Cite:Combining random microseed matrix screening and the magic triangle for the efficient structure solution of a potential lysin from bacteriophage P68.
Acta Crystallogr D Struct Biol, 75, 2019

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