5Y37
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![BU of 5y37 by Molmil](/molmil-images/mine/5y37) | Crystal structure of GBS GAPDH | Descriptor: | Glyceraldehyde-3-phosphate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | Authors: | Jin, T, Zhou, K. | Deposit date: | 2017-07-28 | Release date: | 2018-04-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | High-resolution crystal structure of Streptococcus agalactiae glyceraldehyde-3-phosphate dehydrogenase. Acta Crystallogr.,Sect.F, 74, 2018
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7S3J
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![BU of 7s3j by Molmil](/molmil-images/mine/7s3j) | Crystal Structure of AspB P450 in complex with brevianamide F substrates | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, AspB, GLYCEROL, ... | Authors: | Newmister, S.A, Shende, V.V, Harris, N.R, Sanders, J.N, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2021-09-07 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases. Angew.Chem.Int.Ed.Engl., 62, 2023
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7S3T
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![BU of 7s3t by Molmil](/molmil-images/mine/7s3t) | NzeB Diketopiperazine Dimerase Mutant: Q68I-G87A-A89G-I90V | Descriptor: | (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione, 1,2-ETHANEDIOL, MAGNESIUM ION, ... | Authors: | Harris, N.R, Shende, V.V, Sanders, J.N, Newmister, S.A, Khatri, Y, Movassaghi, M, Houk, K.N, Sherman, D.H. | Deposit date: | 2021-09-08 | Release date: | 2022-10-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Molecular Dynamics Simulations Guide Chimeragenesis and Engineered Control of Chemoselectivity in Diketopiperazine Dimerases. Angew.Chem.Int.Ed.Engl., 2023
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4OBW
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![BU of 4obw by Molmil](/molmil-images/mine/4obw) | crystal structure of yeast Coq5 in the SAM bound form | Descriptor: | 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, S-ADENOSYLMETHIONINE, ... | Authors: | Dai, Y.N, Zhou, K, Cao, D.D, Jiang, Y.L, Meng, F, Chi, C.B, Ren, Y.M, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2014-01-07 | Release date: | 2014-08-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway. Acta Crystallogr.,Sect.D, 70, 2014
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3J8Y
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![BU of 3j8y by Molmil](/molmil-images/mine/3j8y) | High-resolution structure of ATP analog-bound kinesin on microtubules | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Shang, Z, Zhou, K, Xu, C, Csencsits, R, Cochran, J.C, Sindelar, C.V. | Deposit date: | 2014-11-20 | Release date: | 2014-12-10 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | High-resolution structures of kinesin on microtubules provide a basis for nucleotide-gated force-generation. Elife, 3, 2014
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3J0A
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![BU of 3j0a by Molmil](/molmil-images/mine/3j0a) | Homology model of human Toll-like receptor 5 fitted into an electron microscopy single particle reconstruction | Descriptor: | Toll-like receptor 5, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Modis, Y, Zhou, K, Kanai, R, Lee, P, Wang, H.W. | Deposit date: | 2011-06-02 | Release date: | 2011-12-28 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (26 Å) | Cite: | Toll-like receptor 5 forms asymmetric dimers in the absence of flagellin. J.Struct.Biol., 177, 2012
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6J3Q
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![BU of 6j3q by Molmil](/molmil-images/mine/6j3q) | Capsid structure of a freshwater cyanophage Siphoviridae Mic1 | Descriptor: | cement protein, major capsid protein | Authors: | Jin, H, Jiang, Y.L, Yang, F, Zhang, J.T, Li, W.F, Zhou, K, Ju, J, Chen, Y, Zhou, C.Z. | Deposit date: | 2019-01-05 | Release date: | 2019-10-02 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.53 Å) | Cite: | Capsid Structure of a Freshwater Cyanophage Siphoviridae Mic1. Structure, 27, 2019
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6JOB
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![BU of 6job by Molmil](/molmil-images/mine/6job) | Ferritin variant with "GMG" motif | Descriptor: | Ferritin heavy chain | Authors: | Zheng, B.W, Zhou, K, Zhang, T, Lv, C, Wang, H, Zhao, G. | Deposit date: | 2019-03-20 | Release date: | 2020-03-25 | Last modified: | 2024-03-27 | Method: | SOLUTION SCATTERING (2.93 Å), X-RAY DIFFRACTION | Cite: | Self-assembly of protein nanocage into designed 2D and 3D networks by grafting amyloidogenic motifs on the exterior surfaces. To Be Published
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5YOX
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![BU of 5yox by Molmil](/molmil-images/mine/5yox) | HD domain-containing protein YGK1(YGL101W) | Descriptor: | HD domain-containing protein YGL101W, ZINC ION | Authors: | Yang, J, Wang, F, Gao, Z, Zhou, K, Liu, Q. | Deposit date: | 2017-10-31 | Release date: | 2018-11-21 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | HD domain-containing protein YGK1(YGL101W) To Be Published
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5WPP
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![BU of 5wpp by Molmil](/molmil-images/mine/5wpp) | Crystal structure HpiC1 W73M/K132M | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION, TETRAETHYLENE GLYCOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5XNJ
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![BU of 5xnj by Molmil](/molmil-images/mine/5xnj) | |
5XNK
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![BU of 5xnk by Molmil](/molmil-images/mine/5xnk) | Crystal structure of Microcystis aeruginosa PCC 7806 aspartate racemase in complex with DL-methyl-aspartate | Descriptor: | (2S,3S)-3-methyl-aspartic acid, 3-METHYL-BETA-D-ASPARTIC ACID, McyF | Authors: | Cao, D.D, Zhou, K, Jiang, Y.L, Zhou, C.Z. | Deposit date: | 2017-05-23 | Release date: | 2018-05-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Structure-function Analyses of a Cyanobacterial Aspartate Racemase Reveal Its Catalytic Mechanism and Substrate Specificity To Be Published
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5XNI
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![BU of 5xni by Molmil](/molmil-images/mine/5xni) | |
3J8X
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![BU of 3j8x by Molmil](/molmil-images/mine/3j8x) | High-resolution structure of no-nucleotide kinesin on microtubules | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-1 heavy chain, ... | Authors: | Shang, Z, Zhou, K, Xu, C, Csencsits, R, Cochran, J.C, Sindelar, C.V. | Deposit date: | 2014-11-20 | Release date: | 2014-12-10 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (5 Å) | Cite: | High-resolution structures of kinesin on microtubules provide a basis for nucleotide-gated force-generation. Elife, 3, 2014
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4OBX
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![BU of 4obx by Molmil](/molmil-images/mine/4obx) | Crystal structure of yeast Coq5 in the apo form | Descriptor: | 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, TRIS(HYDROXYETHYL)AMINOMETHANE | Authors: | Dai, Y.N, Zhou, K, Cao, D.D, Jiang, Y.L, Meng, F, Chi, C.B, Ren, Y.M, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2014-01-07 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway. Acta Crystallogr.,Sect.D, 70, 2014
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4R0M
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![BU of 4r0m by Molmil](/molmil-images/mine/4r0m) | Structure of McyG A-PCP complexed with phenylalanyl-adenylate | Descriptor: | ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE], McyG protein | Authors: | Tan, X.F, Dai, Y.N, Zhou, K, Jiang, Y.L, Ren, Y.M, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2014-08-01 | Release date: | 2015-04-15 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure of the adenylation-peptidyl carrier protein didomain of the Microcystis aeruginosa microcystin synthetase McyG. Acta Crystallogr.,Sect.D, 71, 2015
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7F1M
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![BU of 7f1m by Molmil](/molmil-images/mine/7f1m) | Marburg virus nucleoprotein-RNA complex | Descriptor: | Nucleoprotein, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3') | Authors: | Fujita, F.Y, Sugita, Y, Takamatsu, Y, Houri, K, Muramoto, Y, Nakano, M, Tsunoda, Y, Igarashi, M, Becker, S, Noda, T. | Deposit date: | 2021-06-09 | Release date: | 2022-03-09 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural insight into Marburg virus nucleoprotein-RNA complex formation. Nat Commun, 13, 2022
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5WPR
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![BU of 5wpr by Molmil](/molmil-images/mine/5wpr) | Crystal structure HpiC1 in C2 space group | Descriptor: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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5WPS
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![BU of 5wps by Molmil](/molmil-images/mine/5wps) | Crystal structure HpiC1 Y101F | Descriptor: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-04-04 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.389 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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3Q2D
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![BU of 3q2d by Molmil](/molmil-images/mine/3q2d) | Optimization of the in silico designed Kemp eliminase KE70 by computational design and directed evolution | Descriptor: | 5-nitro-1H-benzotriazole, Deoxyribose phosphate aldolase | Authors: | Khersonsky, O, Rothlisberge, D, Wollacott, A.M, Murphy, P, Dym, O, Albeck, S, Kiss, G, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2010-12-20 | Release date: | 2011-02-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Optimization of the in-silico-designed kemp eliminase KE70 by computational design and directed evolution J.Mol.Biol., 407, 2011
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5WPU
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![BU of 5wpu by Molmil](/molmil-images/mine/5wpu) | Crystal structure HpiC1 Y101S | Descriptor: | 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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6LAR
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![BU of 6lar by Molmil](/molmil-images/mine/6lar) | Structure of ESX-3 complex | Descriptor: | ESX-3 secretion system ATPase EccB3, ESX-3 secretion system protein EccC3, ESX-3 secretion system protein EccD3, ... | Authors: | Wang, S.H, Zhou, K.X, Li, J, Rao, Z.H. | Deposit date: | 2019-11-13 | Release date: | 2020-11-18 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | cryo-em structure of esx-3 To Be Published
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6AL7
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![BU of 6al7 by Molmil](/molmil-images/mine/6al7) | Crystal structure HpiC1 F138S | Descriptor: | 12-epi-hapalindole C/U synthase, CALCIUM ION | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.687 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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6AL8
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![BU of 6al8 by Molmil](/molmil-images/mine/6al8) | Crystal structure HpiC1 Y101F/F138S | Descriptor: | 1,2-ETHANEDIOL, 12-epi-hapalindole C/U synthase, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Newmister, S.A, Li, S, Garcia-Borras, M, Sanders, J.N, Yang, S, Lowell, A.N, Yu, F, Smith, J.L, Williams, R.M, Houk, K.N, Sherman, D.H. | Deposit date: | 2017-08-07 | Release date: | 2018-03-07 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Structural basis of the Cope rearrangement and cyclization in hapalindole biogenesis. Nat. Chem. Biol., 14, 2018
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3UZJ
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![BU of 3uzj by Molmil](/molmil-images/mine/3uzj) | Designed protein KE59 R13 3/11H with benzotriazole | Descriptor: | 1H-benzotriazole, Kemp eliminase KE59 R13 3/11H, PHOSPHATE ION | Authors: | Khersonsky, O, Kiss, G, Roethlisberger, D, Dym, O, Albeck, S, Houk, K.N, Baker, D, Tawfik, D.S, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2011-12-07 | Release date: | 2012-06-06 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Bridging the gaps in design methodologies by evolutionary optimization of the stability and proficiency of designed Kemp eliminase KE59. Proc.Natl.Acad.Sci.USA, 109, 2012
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