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7M6U
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BU of 7m6u by Molmil
Crystal structure of a circular permutation and computationally designed pro-enzyme of carboxypeptidase G2
Descriptor: Carboxypeptidase G2 circular permuation pro-domain fusion, SULFATE ION, ZINC ION
Authors:Yachnin, B.J, Khare, S.D.
Deposit date:2021-03-26
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Massively parallel, computationally guided design of a proenzyme.
Proc.Natl.Acad.Sci.USA, 119, 2022
4RG4
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BU of 4rg4 by Molmil
Epsilon-caprolactone-bound crystal structure of cyclohexanone monooxygenase in the Loose conformation
Descriptor: Caprolactone, Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2014-09-29
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Lactone-bound structures of cyclohexanone monooxygenase provide insight into the stereochemistry of catalysis.
Acs Chem.Biol., 9, 2014
4RG3
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BU of 4rg3 by Molmil
Epsilon-caprolactone-bound crystal structure of cyclohexanone monooxygenase in the Tight conformation
Descriptor: BICINE, Caprolactone, Cyclohexanone monooxygenase, ...
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2014-09-29
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Lactone-bound structures of cyclohexanone monooxygenase provide insight into the stereochemistry of catalysis.
Acs Chem.Biol., 9, 2014
3SFM
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BU of 3sfm by Molmil
Novel crystallization conditions for tandem variant R67 DHFR yields wild-type crystal structure
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, Dihydrofolate reductase type 2
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2011-06-13
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Novel crystallization conditions for tandem variant R67 DHFR yield a wild-type crystal structure.
Acta Crystallogr.,Sect.F, 67, 2011
3UCL
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BU of 3ucl by Molmil
Cyclohexanone-bound crystal structure of cyclohexanone monooxygenase in the Rotated conformation
Descriptor: CYCLOHEXANONE, Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2011-10-27
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:The Substrate-Bound Crystal Structure of a Baeyer-Villiger Monooxygenase Exhibits a Criegee-like Conformation.
J.Am.Chem.Soc., 134, 2012
6XJ5
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BU of 6xj5 by Molmil
Carboxypeptidase G2 modified with a versatile bioconjugate for metalloprotein design
Descriptor: Carboxypeptidase G2, SULFATE ION, ZINC ION
Authors:Yachnin, B.J, Hansen, W.A, Khare, S.D.
Deposit date:2020-06-22
Release date:2021-06-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:A Bis(imidazole)-based cysteine labeling tool for metalloprotein assembly.
J.Inorg.Biochem., 244, 2023
3EIG
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BU of 3eig by Molmil
Crystal structure of a methotrexate-resistant mutant of human dihydrofolate reductase
Descriptor: CADMIUM ION, Dihydrofolate reductase, METHOTREXATE, ...
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2008-09-15
Release date:2009-05-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Multiple conformers in active site of human dihydrofolate reductase F31R/Q35E double mutant suggest structural basis for methotrexate resistance.
J.Biol.Chem., 284, 2009
6NY0
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BU of 6ny0 by Molmil
Crystal structure of trimethoprim-resistant type II dihydrofolate reductase in complex with a bisbenzimidazole inhibitor
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(4-{3-[4-(6-carboxy-1H-benzimidazol-2-yl)phenoxy]-2-hydroxypropoxy}phenyl)-1H-benzimidazole-5-carboxylic acid, Dihydrofolate reductase type 2, ...
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2019-02-10
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of Dimeric Bisbenzimidazole Inhibitors to an Emergent Trimethoprim-Resistant Type II Dihydrofolate Reductase Guides the Design of Monomeric Analogues.
Acs Omega, 4, 2019
6NXZ
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BU of 6nxz by Molmil
Crystal structure of trimethoprim-resistant type II dihydrofolate reductase in complex with a bisbenzimidazole inhibitor
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-[4-[(2~{R})-4-[4-(6-carboxy-1~{H}-benzimidazol-2-yl)phenoxy]-2-oxidanyl-butoxy]phenyl]-1~{H}-benzimidazole-5-carboxylic acid, Dihydrofolate reductase type 2, ...
Authors:Yachnin, B.J, Berghuis, A.M.
Deposit date:2019-02-10
Release date:2019-05-29
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure-Based Design of Dimeric Bisbenzimidazole Inhibitors to an Emergent Trimethoprim-Resistant Type II Dihydrofolate Reductase Guides the Design of Monomeric Analogues.
Acs Omega, 4, 2019
3GWF
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BU of 3gwf by Molmil
Open crystal structure of cyclohexanone monooxygenase
Descriptor: Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mirza, I.A, Yachnin, B.J, Berghuis, A.M.
Deposit date:2009-04-01
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of cyclohexanone monooxygenase reveal complex domain movements and a sliding cofactor
J.Am.Chem.Soc., 131, 2009
3GWD
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BU of 3gwd by Molmil
Closed crystal structure of cyclohexanone monooxygenase
Descriptor: Cyclohexanone monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mirza, I.A, Yachnin, B.J, Berghuis, A.M.
Deposit date:2009-03-31
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of cyclohexanone monooxygenase reveal complex domain movements and a sliding cofactor
J.Am.Chem.Soc., 131, 2009
5E96
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BU of 5e96 by Molmil
Crystal structure of aminoglycoside 6'-acetyltransferase type Ii
Descriptor: 1,2-ETHANEDIOL, Aminoglycoside 6'-acetyltransferase, PHOSPHATE ION
Authors:Berghuis, A.M, Burk, D.L, Baettig, O.M, Shi, K.
Deposit date:2015-10-14
Release date:2016-07-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Comprehensive characterization of ligand-induced plasticity changes in a dimeric enzyme.
Febs J., 283, 2016

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