6LPK
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![BU of 6lpk by Molmil](/molmil-images/mine/6lpk) | A2AR crystallized in EROCOC17+4, LCP-SFX at 293 K | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M. | Deposit date: | 2020-01-10 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography. Sci Rep, 10, 2020
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6LPJ
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![BU of 6lpj by Molmil](/molmil-images/mine/6lpj) | A2AR crystallized in EROCOC17+4, LCP-SFX at 277 K | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M. | Deposit date: | 2020-01-10 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography. Sci Rep, 10, 2020
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6LPL
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![BU of 6lpl by Molmil](/molmil-images/mine/6lpl) | A2AR crystallized in EROCOC17+4, SS-ROX at 100 K | Descriptor: | 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Ihara, K, Hato, M, Nakane, T, Yamashita, K, Kimura-Someya, T, Hosaka, T, Ishizuka-Katsura, Y, Tanaka, R, Tanaka, T, Sugahara, M, Hirata, K, Yamamoto, M, Nureki, O, Tono, K, Nango, E, Iwata, S, Shirouzu, M. | Deposit date: | 2020-01-11 | Release date: | 2020-11-25 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Isoprenoid-chained lipid EROCOC 17+4 : a new matrix for membrane protein crystallization and a crystal delivery medium in serial femtosecond crystallography. Sci Rep, 10, 2020
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1A2B
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![BU of 1a2b by Molmil](/molmil-images/mine/1a2b) | HUMAN RHOA COMPLEXED WITH GTP ANALOGUE | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, TRANSFORMING PROTEIN RHOA | Authors: | Ihara, K, Muraguchi, S, Kato, M, Shimizu, T, Shirakawa, M, Kuroda, S, Kaibuchi, K, Hakoshima, T. | Deposit date: | 1997-12-26 | Release date: | 1998-06-17 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of human RhoA in a dominantly active form complexed with a GTP analogue. J.Biol.Chem., 273, 1998
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3T5W
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![BU of 3t5w by Molmil](/molmil-images/mine/3t5w) | 2ME modified human SOD1 | Descriptor: | COPPER (I) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... | Authors: | Ihara, K, Yamaguchi, Y, Torigoe, H, Wakatsuki, S, Taniguchi, N, Suzuki, K, Fujiwara, N. | Deposit date: | 2011-07-28 | Release date: | 2012-08-01 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural switching of Cu,Zn-superoxide dismutases at loop VI: insights from the crystal structure of 2-mercaptoethanol-modified enzyme Biosci.Rep., 32, 2012
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4G01
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![BU of 4g01 by Molmil](/molmil-images/mine/4g01) | ARA7-GDP-Ca2+/VPS9a | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein RABF2b, ... | Authors: | Ihara, K. | Deposit date: | 2012-07-09 | Release date: | 2013-02-27 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Direct metal recognition by guanine nucleotide-exchange factor in the initial step of the exchange reaction Acta Crystallogr.,Sect.D, 69, 2013
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2EFH
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![BU of 2efh by Molmil](/molmil-images/mine/2efh) | Ara7-GDP/AtVps9a(D185N) | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, Similarity to vacuolar protein sorting-associated protein VPS9, Small GTP-binding protein-like | Authors: | Ihara, K, Uejima, T, Wakatsuki, S. | Deposit date: | 2007-02-22 | Release date: | 2008-02-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | GDP-bound and nucleotide-free intermediates of the guanine nucleotide exchange in the Rab5/Vps9 system J.Biol.Chem., 285, 2010
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2EFE
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![BU of 2efe by Molmil](/molmil-images/mine/2efe) | Ara7-GDPNH2/AtVps9a | Descriptor: | AMINOPHOSPHONIC ACID-GUANYLATE ESTER, Similarity to vacuolar protein sorting-associated protein VPS9, Small GTP-binding protein-like | Authors: | Ihara, K, Uejima, T, Wakatsuki, S. | Deposit date: | 2007-02-22 | Release date: | 2008-02-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | GDP-bound and nucleotide-free intermediates of the guanine nucleotide exchange in the Rab5/Vps9 system J.Biol.Chem., 285, 2010
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8H7E
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![BU of 8h7e by Molmil](/molmil-images/mine/8h7e) | Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) at 2.0 angstrom resolution | Descriptor: | ACETATE ION, De novo ferric enterobactin esterase Syn-F4 | Authors: | Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R. | Deposit date: | 2022-10-19 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4. Proc.Natl.Acad.Sci.USA, 120, 2023
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8H7C
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![BU of 8h7c by Molmil](/molmil-images/mine/8h7c) | Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) - Pt derivative | Descriptor: | ACETATE ION, CHLORIDE ION, De novo ferric enterobactin esterase Syn-F4, ... | Authors: | Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R. | Deposit date: | 2022-10-19 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4. Proc.Natl.Acad.Sci.USA, 120, 2023
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8H7D
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![BU of 8h7d by Molmil](/molmil-images/mine/8h7d) | Crystal structure of a de novo enzyme, ferric enterobactin esterase Syn-F4 (K4T) | Descriptor: | ACETATE ION, De novo ferric enterobactin esterase Syn-F4 | Authors: | Kurihara, K, Umezawa, K, Donnelly, A.E, Hecht, M.H, Arai, R. | Deposit date: | 2022-10-19 | Release date: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and activity of a de novo enzyme, ferric enterobactin esterase Syn-F4. Proc.Natl.Acad.Sci.USA, 120, 2023
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1VCX
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![BU of 1vcx by Molmil](/molmil-images/mine/1vcx) | Neutron Crystal Structure of the Wild Type Rubredoxin from Pyrococcus Furiosus at 1.5A Resolution | Descriptor: | FE (III) ION, Rubredoxin | Authors: | Kurihara, K, Tanaka, I, Chatake, T, Adams, M.W.W, Jenney Jr, F.E, Moiseeva, N, Bau, R, Niimura, N. | Deposit date: | 2004-03-17 | Release date: | 2004-08-10 | Last modified: | 2023-10-25 | Method: | NEUTRON DIFFRACTION (1.5 Å) | Cite: | Neutron crystallographic study on rubredoxin from Pyrococcus furiosus by BIX-3, a single-crystal diffractometer for biomacromolecules Proc.Natl.Acad.Sci.USA, 101, 2004
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1VGO
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![BU of 1vgo by Molmil](/molmil-images/mine/1vgo) | Crystal Structure of Archaerhodopsin-2 | Descriptor: | Archaerhodopsin 2, RETINAL, SULFATE ION, ... | Authors: | Yoshimura, K, Enami, N, Murakami, M, Okumura, H, Ihara, K, Kouyama, T. | Deposit date: | 2004-04-28 | Release date: | 2005-10-04 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structures of archaerhodopsin-1 and -2: Common structural motif in archaeal light-driven proton pumps J.Mol.Biol., 358, 2006
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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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1Z6I
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![BU of 1z6i by Molmil](/molmil-images/mine/1z6i) | Crystal structure of the ectodomain of Drosophila transmembrane receptor PGRP-LCa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Peptidoglycan-recognition protein-LC, SULFATE ION | Authors: | Chang, C.-I, Ihara, K, Chelliah, Y, Mengin-Lecreulx, D, Wakatsuki, S, Deisenhofer, J. | Deposit date: | 2005-03-22 | Release date: | 2005-07-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the ectodomain of Drosophila peptidoglycan-recognition protein LCa suggests a molecular mechanism for pattern recognition Proc.Natl.Acad.Sci.Usa, 102, 2005
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1CXZ
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![BU of 1cxz by Molmil](/molmil-images/mine/1cxz) | CRYSTAL STRUCTURE OF HUMAN RHOA COMPLEXED WITH THE EFFECTOR DOMAIN OF THE PROTEIN KINASE PKN/PRK1 | Descriptor: | 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, PROTEIN (HIS-TAGGED TRANSFORMING PROTEIN RHOA(0-181)), ... | Authors: | Maesaki, R, Ihara, K, Shimizu, T, Kuroda, S, Kaibuchi, K, Hakoshima, T. | Deposit date: | 1999-08-31 | Release date: | 1999-10-08 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The structural basis of Rho effector recognition revealed by the crystal structure of human RhoA complexed with the effector domain of PKN/PRK1. Mol.Cell, 4, 1999
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7XN1
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![BU of 7xn1 by Molmil](/molmil-images/mine/7xn1) | Crystal structure of human acetylcholinesterase in complex with tacrine | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Acetylcholinesterase, ... | Authors: | Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J. | Deposit date: | 2022-04-27 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery Int.J.Biol.Macromol., 210, 2022
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2IEZ
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![BU of 2iez by Molmil](/molmil-images/mine/2iez) | Crystal Structure of mouse Rab27b bound to GDP in monoclinic space group | Descriptor: | CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, Ras-related protein Rab-27B | Authors: | Chavas, L.M.G, Torii, S, Kamikubo, H, Kawasaki, M, Ihara, K, Kato, R, Kataoka, M, Izumi, T, Wakatsuki, S. | Deposit date: | 2006-09-19 | Release date: | 2007-05-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure of the small GTPase Rab27b shows an unexpected swapped dimer Acta Crystallogr.,Sect.D, 63, 2007
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7E3D
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![BU of 7e3d by Molmil](/molmil-images/mine/7e3d) | Crystal structure of human acetylcholinesterase | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Acetylcholinesterase | Authors: | Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J. | Deposit date: | 2021-02-08 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery Int.J.Biol.Macromol., 210, 2022
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7E3H
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![BU of 7e3h by Molmil](/molmil-images/mine/7e3h) | Crystal structure of human acetylcholinesterase in complex with donepezil | Descriptor: | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-2-YL)METHYL]PIPERIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Dileep, K.V, Ihara, K, Mishima-Tsumagari, C, Kukimoto-Niino, M, Yonemochi, M, Hanada, K, Shirouzu, M, Zhang, K.Y.J. | Deposit date: | 2021-02-08 | Release date: | 2022-02-16 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of human acetylcholinesterase in complex with tacrine: Implications for drug discovery Int.J.Biol.Macromol., 210, 2022
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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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1A0A
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![BU of 1a0a by Molmil](/molmil-images/mine/1a0a) | PHOSPHATE SYSTEM POSITIVE REGULATORY PROTEIN PHO4/DNA COMPLEX | Descriptor: | DNA (5'-D(*CP*TP*AP*GP*TP*CP*CP*CP*AP*CP*GP*TP*GP*TP*GP*AP*G )-3'), DNA (5'-D(*CP*TP*CP*AP*CP*AP*CP*GP*TP*GP*GP*GP*AP*CP*TP*AP*G )-3'), PROTEIN (PHOSPHATE SYSTEM POSITIVE REGULATORY PROTEIN PHO4) | Authors: | Shimizu, T, Toumoto, A, Ihara, K, Shimizu, M, Kyogoku, Y, Ogawa, N, Oshima, Y, Hakoshima, T. | Deposit date: | 1997-11-27 | Release date: | 1998-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of PHO4 bHLH domain-DNA complex: flanking base recognition. EMBO J., 16, 1997
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1DPF
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![BU of 1dpf by Molmil](/molmil-images/mine/1dpf) | CRYSTAL STRUCTURE OF A MG-FREE FORM OF RHOA COMPLEXED WITH GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, RHOA | Authors: | Shimizu, T, Ihara, K, Maesaki, R, Kuroda, S, Kaibuchi, K, Hakoshima, T. | Deposit date: | 1999-12-27 | Release date: | 2000-06-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | An open conformation of switch I revealed by the crystal structure of a Mg2+-free form of RHOA complexed with GDP. Implications for the GDP/GTP exchange mechanism. J.Biol.Chem., 275, 2000
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1VGM
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![BU of 1vgm by Molmil](/molmil-images/mine/1vgm) | |