5FNQ
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![BU of 5fnq by Molmil](/molmil-images/mine/5fnq) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | 3-(4-CHLOROPHENYL)PROPANOIC ACID, KELCH-LIKE ECH-ASSOCIATED PROTEIN 1 | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2015-11-16 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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5FZN
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![BU of 5fzn by Molmil](/molmil-images/mine/5fzn) | Structure of the Keap1 Kelch domain in complex with a small molecule inhibitor. | Descriptor: | KELCH-LIKE ECH-ASSOCIATED PROTEIN 1, SULFATE ION, benzenesulfonamide | Authors: | Davies, T.G, Wixted, W.E, Coyle, J.E, Griffiths-Jones, C, Hearn, K, McMenamin, R, Norton, D, Rich, S.J, Richardson, C, Saxty, G, Willems, H.M.G, Woolford, A.J, Cottom, J.E, Kou, J, Yonchuk, J.G, Feldser, H.G, Sanchez, Y, Foley, J.P, Bolognese, B.J, Logan, G, Podolin, P.L, Yan, H, Callahan, J.F, Heightman, T.D, Kerns, J.K. | Deposit date: | 2016-03-15 | Release date: | 2016-04-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Mono-Acidic Inhibitors of the Kelch-Like Ech-Associated Protein 1 : Nuclear Factor Erythroid 2-Related Factor 2 (Keap1:Nrf2) Protein-Protein Interaction with High Cell Potency Identified by Fragment-Based Discovery. J.Med.Chem., 59, 2016
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2G1K
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![BU of 2g1k by Molmil](/molmil-images/mine/2g1k) | Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimate at 1.75 angstrom resolution | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, CHLORIDE ION, SULFATE ION, ... | Authors: | Gan, J, Gu, Y, Li, Y, Yan, H, Ji, X. | Deposit date: | 2006-02-14 | Release date: | 2006-07-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of Mycobacterium tuberculosis Shikimate Kinase in Complex with Shikimic Acid and an ATP Analogue. Biochemistry, 45, 2006
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2HK9
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![BU of 2hk9 by Molmil](/molmil-images/mine/2hk9) | Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X. | Deposit date: | 2006-07-03 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism. Biochemistry, 46, 2007
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2HK7
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![BU of 2hk7 by Molmil](/molmil-images/mine/2hk7) | Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with mercury at 2.5 angstrom resolution | Descriptor: | MERCURY (II) ION, Shikimate dehydrogenase | Authors: | Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X. | Deposit date: | 2006-07-03 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism. Biochemistry, 46, 2007
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2HK8
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![BU of 2hk8 by Molmil](/molmil-images/mine/2hk8) | Crystal structure of shikimate dehydrogenase from aquifex aeolicus at 2.35 angstrom resolution | Descriptor: | Shikimate dehydrogenase | Authors: | Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X. | Deposit date: | 2006-07-03 | Release date: | 2007-06-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism. Biochemistry, 46, 2007
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2M6U
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![BU of 2m6u by Molmil](/molmil-images/mine/2m6u) | NMR Structure of CbpAN from Streptococcus pneumoniae | Descriptor: | Choline binding protein A | Authors: | Liu, A, Yan, H, Achila, D, Martinez-Hackert, E, Li, Y, Banerjee, R. | Deposit date: | 2013-04-10 | Release date: | 2014-04-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural determinants of host specificity of complement Factor H recruitment by Streptococcus pneumoniae. Biochem.J., 465, 2015
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1ZYU
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![BU of 1zyu by Molmil](/molmil-images/mine/1zyu) | Crystal structure of Mycobacterium tuberculosis shikimate kinase in complex with shikimate and amppcp at 2.85 angstrom resolution | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Shikimate kinase | Authors: | Gan, J.H, Gu, Y.J, Li, Y, Yan, H.G, Ji, X. | Deposit date: | 2005-06-11 | Release date: | 2006-07-11 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal Structure of Mycobacterium tuberculosis Shikimate Kinase in Complex with Shikimic Acid and an ATP Analogue Biochemistry, 45, 2006
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2NM2
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![BU of 2nm2 by Molmil](/molmil-images/mine/2nm2) | |
7JJ3
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![BU of 7jj3 by Molmil](/molmil-images/mine/7jj3) | Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J16 immobile Holliday junction with R3 symmetry | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*GP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*GP*CP*TP*GP*TP*CP*GP*T)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-07-24 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.987 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
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7JKK
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![BU of 7jkk by Molmil](/molmil-images/mine/7jkk) | Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J10 immobile Holliday junction with R3 symmetry | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*CP*TP*GP*AP*CP*GP*TP*CP*GP*AP*CP*TP*C)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*G)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-07-28 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.794 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
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7JKG
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![BU of 7jkg by Molmil](/molmil-images/mine/7jkg) | Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J3 immobile Holliday junction with R3 symmetry | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*GP*TP*GP*AP*CP*GP*TP*CP*GP*AP*CP*TP*C)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*G)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-07-28 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.851 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
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7JIO
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![BU of 7jio by Molmil](/molmil-images/mine/7jio) | Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J23 immobile Holliday junction with R3 symmetry | Descriptor: | DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*CP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*GP*GP*TP*GP*TP*CP*GP*T)-3'), DNA (5'-D(P*CP*GP*AP*CP*GP*AP*CP*TP*C)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-07-23 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
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2L0K
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![BU of 2l0k by Molmil](/molmil-images/mine/2l0k) | NMR solution structure of a transcription factor SpoIIID in complex with DNA | Descriptor: | Stage III sporulation protein D | Authors: | Chen, B, Himes, P, Lu, Z, Liu, A, Yan, H, Kroos, L. | Deposit date: | 2010-07-08 | Release date: | 2011-08-17 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Novel Mode of DNA Binding by Bacterial Transcription Factor SpoIIID To be Published
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2O90
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![BU of 2o90 by Molmil](/molmil-images/mine/2o90) | |
2NM3
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![BU of 2nm3 by Molmil](/molmil-images/mine/2nm3) | Crystal structure of dihydroneopterin aldolase from S. aureus in complex with (1S,2S)-monapterin at 1.68 angstrom resolution | Descriptor: | ACETATE ION, D-MONAPTERIN, Dihydroneopterin aldolase | Authors: | Blaszczyk, J, Ji, X, Yan, H. | Deposit date: | 2006-10-20 | Release date: | 2007-09-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural basis for the aldolase and epimerase activities of Staphylococcus aureus dihydroneopterin aldolase. J.Mol.Biol., 368, 2007
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7JLF
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![BU of 7jlf by Molmil](/molmil-images/mine/7jlf) | Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J24 immobile Holliday junction with R3 symmetry | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*CP*AP*GP*AP*CP*GP*TP*CP*GP*AP*CP*TP*C)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*G)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-07-29 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.909 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
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7JI7
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![BU of 7ji7 by Molmil](/molmil-images/mine/7ji7) | Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J33 immobile Holliday junction with R3 symmetry | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*TP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*CP*AP*TP*GP*TP*CP*GP*T)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-07-22 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.105 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
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7JHV
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![BU of 7jhv by Molmil](/molmil-images/mine/7jhv) | Self-assembly of a 3D DNA crystal lattice (4x6 junction version) containing the J36 immobile Holliday junction with R3 symmetry | Descriptor: | DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*GP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*GP*CP*GP*TP*CP*TP*GP*C)-3'), DNA (5'-D(P*CP*GP*AP*CP*AP*CP*TP*CP*A)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-07-21 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.058 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
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7JI6
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![BU of 7ji6 by Molmil](/molmil-images/mine/7ji6) | Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J34 immobile Holliday junction with R3 symmetry | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*AP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*GP*TP*TP*GP*TP*CP*GP*T)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-07-22 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.005 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
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7JLD
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![BU of 7jld by Molmil](/molmil-images/mine/7jld) | Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J22 immobile Holliday junction with R3 symmetry | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*CP*TP*GP*AP*CP*GP*GP*CP*GP*AP*CP*TP*C)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*G)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-07-29 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.163 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
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7JHS
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![BU of 7jhs by Molmil](/molmil-images/mine/7jhs) | Self-assembly of a 3D DNA crystal lattice (4x6 junction version) containing the J5 immobile Holliday junction with R3 symmetry | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*GP*CP*AP*GP*AP*CP*CP*CP*GP*A)-3'), DNA (5'-D(*TP*CP*TP*GP*AP*GP*TP*CP*GP*GP*TP*CP*TP*GP*C)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-07-21 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.096 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
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7JLA
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![BU of 7jla by Molmil](/molmil-images/mine/7jla) | Self-assembly of a 3D DNA crystal lattice (4x6 scramble duplex version) containing the J16 immobile Holliday junction with R3 symmetry | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*GP*TP*GP*AP*CP*GP*CP*CP*GP*AP*CP*TP*C)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*G)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-07-29 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
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7JI5
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![BU of 7ji5 by Molmil](/molmil-images/mine/7ji5) | Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J36 immobile Holliday junction with R3 symmetry | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*GP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*GP*CP*TP*GP*TP*CP*GP*T)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-07-22 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
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7JIN
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![BU of 7jin by Molmil](/molmil-images/mine/7jin) | Self-assembly of a 3D DNA crystal lattice (4x6 scramble junction version) containing the J24 immobile Holliday junction with R3 symmetry | Descriptor: | CACODYLATE ION, DNA (5'-D(*GP*AP*AP*CP*GP*AP*CP*AP*CP*AP*GP*A)-3'), DNA (5'-D(*TP*CP*GP*AP*GP*TP*CP*GP*GP*TP*GP*TP*CP*GP*T)-3'), ... | Authors: | Simmons, C.R, MacCulloch, T, Stephanopoulos, N, Yan, H. | Deposit date: | 2020-07-23 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.909 Å) | Cite: | The influence of Holliday junction sequence and dynamics on DNA crystal self-assembly. Nat Commun, 13, 2022
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