5XG5
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![BU of 5xg5 by Molmil](/molmil-images/mine/5xg5) | Crystal structure of Mitsuba-1 with bound NAcGal | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MITSUBA-1 | Authors: | Terada, D, Voet, A.R.D, Kamata, K, Zhang, K.Y.J, Tame, J.R.H. | Deposit date: | 2017-04-12 | Release date: | 2017-07-12 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Computational design of a symmetrical beta-trefoil lectin with cancer cell binding activity. Sci Rep, 7, 2017
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2ESF
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![BU of 2esf by Molmil](/molmil-images/mine/2esf) | Identification of a Novel Non-Catalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase | Descriptor: | BICARBONATE ION, Carbonic anhydrase 2, ZINC ION | Authors: | Cronk, J.D, Rowlett, R.S, Zhang, K.Y.J, Tu, C, Endrizzi, J.A, Gareiss, P.C. | Deposit date: | 2005-10-26 | Release date: | 2006-04-18 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Identification of a Novel Noncatalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase. Biochemistry, 45, 2006
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3WWF
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![BU of 3wwf by Molmil](/molmil-images/mine/3wwf) | Crystal structure of the computationally designed Pizza2-SR protein | Descriptor: | pizza2sr-pb protein | Authors: | Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H. | Deposit date: | 2014-06-17 | Release date: | 2014-10-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Computational design of a self-assembling symmetrical beta-propeller protein. Proc.Natl.Acad.Sci.USA, 111, 2014
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3WWB
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![BU of 3wwb by Molmil](/molmil-images/mine/3wwb) | Crystal structure of the computationally designed Pizza2-SR protein | Descriptor: | Pizza2-SR protein | Authors: | Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H. | Deposit date: | 2014-06-17 | Release date: | 2014-10-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Computational design of a self-assembling symmetrical beta-propeller protein. Proc.Natl.Acad.Sci.USA, 111, 2014
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3WWA
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![BU of 3wwa by Molmil](/molmil-images/mine/3wwa) | Crystal structure of the computationally designed Pizza7 protein after heat treatment | Descriptor: | ISOPROPYL ALCOHOL, Pizza7H protein | Authors: | Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H. | Deposit date: | 2014-06-17 | Release date: | 2014-10-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.988 Å) | Cite: | Computational design of a self-assembling symmetrical beta-propeller protein. Proc.Natl.Acad.Sci.USA, 111, 2014
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3WW9
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![BU of 3ww9 by Molmil](/molmil-images/mine/3ww9) | Crystal structure of the computationally designed Pizza6 protein | Descriptor: | GLYCEROL, SULFATE ION, pizza6 protein | Authors: | Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H. | Deposit date: | 2014-06-17 | Release date: | 2014-10-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Computational design of a self-assembling symmetrical beta-propeller protein. Proc.Natl.Acad.Sci.USA, 111, 2014
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3WW7
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![BU of 3ww7 by Molmil](/molmil-images/mine/3ww7) | Crystal structure of the computationally designed Pizza2 protein | Descriptor: | GLYCEROL, Pizza2 protein | Authors: | Voet, A.R.D, Noguchi, H, Addy, C, Simoncini, D, Terada, D, Unzai, S, Park, S.Y, Zhang, K.Y.J, Tame, J.R.H. | Deposit date: | 2014-06-17 | Release date: | 2014-10-08 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Computational design of a self-assembling symmetrical beta-propeller protein. Proc.Natl.Acad.Sci.USA, 111, 2014
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8XM7
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![BU of 8xm7 by Molmil](/molmil-images/mine/8xm7) | Cryo-EM structure of the RhoG/DOCK5/ELMO1/Rac1 complex: RhoG/DOCK5/ELMO1 focused map | Descriptor: | Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M. | Deposit date: | 2023-12-27 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.91 Å) | Cite: | RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state. J.Biol.Chem., 300, 2024
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8ZJ2
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![BU of 8zj2 by Molmil](/molmil-images/mine/8zj2) | Cryo-EM structure of the RhoG/DOCK5/ELMO1/Rac1 complex | Descriptor: | Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M. | Deposit date: | 2024-05-14 | Release date: | 2024-06-26 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.66 Å) | Cite: | RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state. J.Biol.Chem., 300, 2024
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8JHK
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![BU of 8jhk by Molmil](/molmil-images/mine/8jhk) | Cryo-EM structure of the DOCK5/ELMO1 complex, focused on one protomer | Descriptor: | Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1 | Authors: | Kukimoto-Niino, M, Katsura, K, Ishizuka-Katsura, Y, Mishima-Tsumagari, C, Yonemochi, M, Inoue, M, Nakagawa, R, Kaushik, R, Zhang, K.Y.J, Shirouzu, M. | Deposit date: | 2023-05-23 | Release date: | 2024-05-29 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (4.76 Å) | Cite: | RhoG facilitates a conformational transition in the guanine nucleotide exchange factor complex DOCK5/ELMO1 to an open state. J.Biol.Chem., 300, 2024
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7COZ
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![BU of 7coz by Molmil](/molmil-images/mine/7coz) | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-41 | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(2-methyl-4-thiophen-2-yl-1,3-thiazol-5-yl)propanoyl]piperidine-4-carboxamide, Glutaminyl-peptide cyclotransferase, ... | Authors: | Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J. | Deposit date: | 2020-08-05 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors. Int.J.Biol.Macromol., 170, 2020
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7CP0
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![BU of 7cp0 by Molmil](/molmil-images/mine/7cp0) | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase | Descriptor: | 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ... | Authors: | Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J. | Deposit date: | 2020-08-05 | Release date: | 2021-01-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Piperidine-4-carboxamide as a new scaffold for designing secretory glutaminyl cyclase inhibitors. Int.J.Biol.Macromol., 170, 2020
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7DPA
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![BU of 7dpa by Molmil](/molmil-images/mine/7dpa) | Cryo-EM structure of the human ELMO1-DOCK5-Rac1 complex | Descriptor: | Dedicator of cytokinesis protein 5, Engulfment and cell motility protein 1, Ras-related C3 botulinum toxin substrate 1 | Authors: | Kukimoto-Niino, M, Katsura, K, Kaushik, R, Ehara, H, Yokoyama, T, Uchikubo-Kamo, T, Mishima-Tsumagari, C, Yonemochi, M, Ikeda, M, Hanada, K, Zhang, K.Y.J, Shirouzu, M. | Deposit date: | 2020-12-18 | Release date: | 2021-08-04 | Last modified: | 2024-03-27 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Cryo-EM structure of the human ELMO1-DOCK5-Rac1 complex. Sci Adv, 7, 2021
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7D8E
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![BU of 7d8e by Molmil](/molmil-images/mine/7d8e) | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-09 | Descriptor: | 1,2-ETHANEDIOL, Glutaminyl-peptide cyclotransferase, SULFATE ION, ... | Authors: | Dileep, K.V, Ihara, K, Sakai, N, Shirozu, M, Zhang, K.Y.J. | Deposit date: | 2020-10-08 | Release date: | 2021-12-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of double mutant Y115E Y117E human Secretory Glutaminyl Cyclase in complex with LSB-09 To Be Published
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7DVH
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7DVC
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![BU of 7dvc by Molmil](/molmil-images/mine/7dvc) | Crystal structure of the computationally designed reDPBB_sym1 protein | Descriptor: | ACETATE ION, CHLORIDE ION, reDPBB_sym1 protein | Authors: | Yagi, S, Tagami, S, Padhi, A.K, Zhang, K.Y.J. | Deposit date: | 2021-01-13 | Release date: | 2021-09-29 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.705 Å) | Cite: | Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase. J.Am.Chem.Soc., 143, 2021
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7DVF
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![BU of 7dvf by Molmil](/molmil-images/mine/7dvf) | Crystal structure of the computationally designed reDPBB_sym2 protein | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, reDPBB_sym2 protein | Authors: | Yagi, S, Tagami, S, Padhi, A.K, Zhang, K.Y.J. | Deposit date: | 2021-01-13 | Release date: | 2021-10-13 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.209 Å) | Cite: | Seven Amino Acid Types Suffice to Create the Core Fold of RNA Polymerase. J.Am.Chem.Soc., 143, 2021
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3ET2
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3ET1
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3ET0
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![BU of 3et0 by Molmil](/molmil-images/mine/3et0) | |
3ET3
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7YIR
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7YIS
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![BU of 7yis by Molmil](/molmil-images/mine/7yis) | Crystal structure of N-terminal PH domain of ARAP3 protein in complex with inositol 1,3,4,5-tetrakisphosphate | Descriptor: | (2R)-3-{[(S)-{[(2S,3R,5S,6S)-2,6-DIHYDROXY-3,4,5-TRIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-2-(1-HYDROXY BUTOXY)PROPYL BUTYRATE, Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 3 | Authors: | Zhang, Y.J, Liu, Y.R, Wu, B. | Deposit date: | 2022-07-18 | Release date: | 2023-05-03 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural Insights Uncover the Specific Phosphoinositide Recognition by the PH1 Domain of Arap3. Int J Mol Sci, 24, 2023
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7WFY
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3C4C
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![BU of 3c4c by Molmil](/molmil-images/mine/3c4c) | B-Raf Kinase in Complex with PLX4720 | Descriptor: | B-Raf proto-oncogene serine/threonine-protein kinase, N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}propane-1-sulfonamide | Authors: | Zhang, K.Y.J, Wang, W. | Deposit date: | 2008-01-29 | Release date: | 2008-02-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.57 Å) | Cite: | Discovery of a selective inhibitor of oncogenic B-Raf kinase with potent antimelanoma activity Proc.Natl.Acad.Sci.Usa, 105, 2008
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