6PDS
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![BU of 6pds by Molmil](/molmil-images/mine/6pds) | Vaccine-elicited NHP FP-targeting antibody 0PV-a.04 in complex with HIV fusion peptide (residue 512-519) | Descriptor: | HIV-1 fusion peptide residue 512-519, SULFATE ION, antibody 0PV-a.04 heavy chain, ... | Authors: | Xu, K, Liu, K, Wang, Y, Kwong, P.D. | Deposit date: | 2019-06-19 | Release date: | 2020-06-24 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies To Be Published
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4BS1
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![BU of 4bs1 by Molmil](/molmil-images/mine/4bs1) | MuB is an AAAplus ATPase that forms helical filaments to control target selection for DNA transposition | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TRANSCRIPTIONAL REGULATOR (NTRC FAMILY) | Authors: | Mizuno, N, Dramicanin, M, Mizuuchi, M, Adam, J, Wang, Y, Han, Y.W, Yang, W, Steven, A.C, Mizuuchi, K, Ramon-Maiques, S. | Deposit date: | 2013-06-06 | Release date: | 2013-07-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (18 Å) | Cite: | Mub is an Aaa+ ATPase that Forms Helical Filaments to Control Target Selection for DNA Transposition. Proc.Natl.Acad.Sci.USA, 110, 2013
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6PDR
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![BU of 6pdr by Molmil](/molmil-images/mine/6pdr) | |
6PDU
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![BU of 6pdu by Molmil](/molmil-images/mine/6pdu) | Vaccine-elicited NHP FP-targeting antibody 13N024-a.01 in complex with HIV fusion peptide (residue 512-519) | Descriptor: | HIV-1 fusion peptide residue 512-519, antibody 13N024-a.01, heavy chain, ... | Authors: | Xu, K, Liu, K, Wang, Y, Kwong, P.D. | Deposit date: | 2019-06-19 | Release date: | 2020-06-24 | Method: | X-RAY DIFFRACTION (1.953 Å) | Cite: | Modular recognition of antigens provides a mechanism that improves vaccine-elicited antibody-class frequencies To Be Published
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8GUP
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![BU of 8gup by Molmil](/molmil-images/mine/8gup) | Crystal structure of EsaG from Staphylococcus aureus | Descriptor: | CITRIC ACID, Type VII secretion system protein EsaG | Authors: | Zhang, Z.M, Wang, Y.J. | Deposit date: | 2022-09-13 | Release date: | 2022-11-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.298725 Å) | Cite: | A toxin-deformation dependent inhibition mechanism in the T7SS toxin-antitoxin system of Gram-positive bacteria. Nat Commun, 13, 2022
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5VEX
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![BU of 5vex by Molmil](/molmil-images/mine/5vex) | Structure of the human GLP-1 receptor complex with NNC0640 | Descriptor: | 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, Glucagon-like peptide 1 receptor, Endolysin chimera | Authors: | Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C. | Deposit date: | 2017-04-05 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators. Nature, 546, 2017
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5VEW
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![BU of 5vew by Molmil](/molmil-images/mine/5vew) | Structure of the human GLP-1 receptor complex with PF-06372222 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glucagon-like peptide 1 receptor,Endolysin chimera, N-{4-[(R)-(3,3-dimethylcyclobutyl)({6-[4-(trifluoromethyl)-1H-imidazol-1-yl]pyridin-3-yl}amino)methyl]benzene-1-carbonyl}-beta-alanine, ... | Authors: | Song, G, Yang, D, Wang, Y, Graaf, C.D, Zhou, Q, Jiang, S, Liu, K, Cai, X, Dai, A, Lin, G, Liu, D, Wu, F, Wu, Y, Zhao, S, Ye, L, Han, G.W, Lau, J, Wu, B, Hanson, M.A, Liu, Z.-J, Wang, M.-W, Stevens, R.C. | Deposit date: | 2017-04-05 | Release date: | 2017-05-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human GLP-1 receptor transmembrane domain structure in complex with allosteric modulators. Nature, 546, 2017
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6QGK
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![BU of 6qgk by Molmil](/molmil-images/mine/6qgk) | Structure of human Bcl-2 in complex with THIQ-phenyl pyrazole compound | Descriptor: | 1-[2-[[(3~{S})-3-(aminomethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]phenyl]-~{N},~{N}-dibutyl-5-methyl-pyrazole-3-carboxamide, ACETATE ION, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-11 | Release date: | 2019-06-12 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QGD
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![BU of 6qgd by Molmil](/molmil-images/mine/6qgd) | Structure of human Mcl-1 in complex with thienopyrimidine inhibitor | Descriptor: | 2-[(6-ethyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)amino]-3-oxidanyl-propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-11 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QGG
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![BU of 6qgg by Molmil](/molmil-images/mine/6qgg) | Structure of human Bcl-2 in complex with analogue of ABT-737 | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, [(3~{R})-3-[[4-[[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]carbonylsulfamoyl]-2-nitro-phenyl]amino]-4-phenylsulfanyl-butyl]-(2-hydroxy-2-oxoethyl)-dimethyl-azanium | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-11 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QFI
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![BU of 6qfi by Molmil](/molmil-images/mine/6qfi) | Structure of human Mcl-1 in complex with BIM BH3 peptide | Descriptor: | Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QFQ
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![BU of 6qfq by Molmil](/molmil-images/mine/6qfq) | Structure of human Mcl-1 in complex with indole acid inhibitor | Descriptor: | 7-(3,5-dimethyl-1~{H}-pyrazol-4-yl)-3-(3-naphthalen-1-yloxypropyl)-1~{H}-indole-2-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QG8
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![BU of 6qg8 by Molmil](/molmil-images/mine/6qg8) | Structure of human Bcl-2 in complex with PUMA BH3 peptide | Descriptor: | Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1, Bcl-2-binding component 3 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QFM
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![BU of 6qfm by Molmil](/molmil-images/mine/6qfm) | Structure of human Mcl-1 in complex with PUMA BH3 peptide | Descriptor: | Bcl-2-binding component 3, CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, ... | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-10 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QGH
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![BU of 6qgh by Molmil](/molmil-images/mine/6qgh) | Structure of human Bcl-2 in complex with ABT-263 | Descriptor: | 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-en-1-yl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-11 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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6QGJ
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![BU of 6qgj by Molmil](/molmil-images/mine/6qgj) | Structure of human Bcl-2 in complex with fragment/ABT-263 hybrid | Descriptor: | 4-[4-[(1~{R})-1-(6-methoxy-1,3-benzodioxol-5-yl)-2-pyrrolidin-1-yl-ethyl]phenyl]-~{N}-[4-[[(2~{R})-4-morpholin-4-yl-1-phenylsulfanyl-butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonyl-benzamide, Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Bcl-2-like protein 1 | Authors: | Dokurno, P, Murray, J, Davidson, J, Chen, I, Davis, B, Graham, C.J, Harris, R, Jordan, A.M, Matassova, N, Pedder, C, Ray, S, Roughley, S, Smith, J, Walmsley, C, Wang, Y, Whitehead, N, Williamson, D.S, Casara, P, Le Diguarher, T, Hickman, J, Stark, J, Kotschy, A, Geneste, O, Hubbard, R.E. | Deposit date: | 2019-01-11 | Release date: | 2019-06-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Establishing Drug Discovery and Identification of Hit Series for the Anti-apoptotic Proteins, Bcl-2 and Mcl-1. Acs Omega, 4, 2019
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8HNT
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![BU of 8hnt by Molmil](/molmil-images/mine/8hnt) | |
6P7H
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![BU of 6p7h by Molmil](/molmil-images/mine/6p7h) | |
5WQE
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![BU of 5wqe by Molmil](/molmil-images/mine/5wqe) | |
1BVE
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![BU of 1bve by Molmil](/molmil-images/mine/1bve) | HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR, 28 STRUCTURES | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | Authors: | Yamazaki, T, Hinck, A.P, Wang, Y.-X, Nicholson, L.K, Torchia, D.A, Wingfield, P, Stahl, S.J, Kaufman, J.D, Chang, C, Domaille, P.J, Lam, P.Y.S. | Deposit date: | 1996-01-16 | Release date: | 1996-08-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of the HIV-1 protease complexed with DMP323, a novel cyclic urea-type inhibitor, determined by nuclear magnetic resonance spectroscopy. Protein Sci., 5, 1996
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1BVG
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![BU of 1bvg by Molmil](/molmil-images/mine/1bvg) | HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR MINIMIZED AVERAGE STRUCTURE | Descriptor: | HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHEN YLMETHYL)]-2H-1,3-DIAZEPINONE | Authors: | Yamazaki, T, Hinck, A.P, Wang, Y.-X, Nicholson, L.K, Torchia, D.A, Wingfield, P, Stahl, S.J, Kaufman, J.D, Chang, C, Domaille, P.J, Lam, P.Y.S. | Deposit date: | 1996-01-16 | Release date: | 1996-08-17 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Three-dimensional solution structure of the HIV-1 protease complexed with DMP323, a novel cyclic urea-type inhibitor, determined by nuclear magnetic resonance spectroscopy. Protein Sci., 5, 1996
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4BT1
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![BU of 4bt1 by Molmil](/molmil-images/mine/4bt1) | MuB is an AAAplus ATPase that forms helical filaments to control target selection for DNA transposition | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TRANSCRIPTIONAL REGULATOR | Authors: | Mizuno, N, Dramicanin, M, Mizuuchi, M, Adam, J, Wang, Y, Han, Y.W, Yang, W, Steven, A.C, Mizuuchi, K, Ramon-Maiques, S. | Deposit date: | 2013-06-12 | Release date: | 2013-07-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (16 Å) | Cite: | Mub is an Aaa+ ATPase that Forms Helical Filaments to Control Target Selection for DNA Transposition. Proc.Natl.Acad.Sci.USA, 110, 2013
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4BT0
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![BU of 4bt0 by Molmil](/molmil-images/mine/4bt0) | MuB is an AAAplus ATPase that forms helical filaments to control target selection for DNA transposition | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, TRANSCRIPTIONAL REGULATOR | Authors: | Mizuno, N, Dramicanin, M, Mizuuchi, M, Adam, J, Wang, Y, Han, Y.W, Yang, W, Steven, A.C, Mizuuchi, K, Ramon-Maiques, S. | Deposit date: | 2013-06-12 | Release date: | 2013-07-03 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (17 Å) | Cite: | Mub is an Aaa+ ATPase that Forms Helical Filaments to Control Target Selection for DNA Transposition. Proc.Natl.Acad.Sci.USA, 110, 2013
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1J0Q
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![BU of 1j0q by Molmil](/molmil-images/mine/1j0q) | Solution Structure of Oxidized Bovine Microsomal Cytochrome b5 mutant V61H | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, cytochrome b5 | Authors: | Wu, H, Huang, Z, Cao, C, Zhang, Q, Wang, Y.-H, Ma, J.-B, Xue, L.-L. | Deposit date: | 2002-11-20 | Release date: | 2003-08-12 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | The solution structure of the oxidized bovine microsomal cytochrome b5 mutant V61H Biochem.Biophys.Res.Commun., 307, 2003
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3K3N
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![BU of 3k3n by Molmil](/molmil-images/mine/3k3n) | Crystal structure of the catalytic core domain of human PHF8 | Descriptor: | FE (II) ION, PHD finger protein 8 | Authors: | Yu, L, Wang, Y, Huang, S, Wang, J, Deng, Z, Wu, W, Gong, W, Chen, Z. | Deposit date: | 2009-10-03 | Release date: | 2010-01-19 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural insights into a novel histone demethylase PHF8 Cell Res., 20, 2010
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