9BG1
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![BU of 9bg1 by Molmil](/molmil-images/mine/9bg1) | Tri-complex of Compound-3, KRAS G12V, and CypA | Descriptor: | (2R)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1S)-1-methoxyethyl]pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-methyl-2-(N-methylacetamido)butanamide (non-preferred name), GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-04-18 | Release date: | 2024-06-12 | Last modified: | 2024-06-26 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Tri-complex of Compound-3, KRAS G12V, and CypA To be published
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7CZO
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![BU of 7czo by Molmil](/molmil-images/mine/7czo) | N-terminal domain of HipA toxin | Descriptor: | CHLORIDE ION, Uncharacterized protein HI_0666 | Authors: | Kang, S.M. | Deposit date: | 2020-09-09 | Release date: | 2021-09-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | The Haemophilus influenzae HipBA toxin-antitoxin system adopts an unusual three-com-ponent regulatory mechanism Iucrj, 9, 2022
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6JKG
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![BU of 6jkg by Molmil](/molmil-images/mine/6jkg) | The NAD+-free form of human NSDHL | Descriptor: | Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating | Authors: | Kim, D, Lee, S.J, Lee, B. | Deposit date: | 2019-02-28 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Crystal structures of human NSDHL and development of its novel inhibitor with the potential to suppress EGFR activity. Cell.Mol.Life Sci., 78, 2021
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6JKH
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![BU of 6jkh by Molmil](/molmil-images/mine/6jkh) | The NAD+-bound form of human NSDHL | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating | Authors: | Kim, D, Lee, S.J, Lee, B. | Deposit date: | 2019-02-28 | Release date: | 2020-03-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of human NSDHL and development of its novel inhibitor with the potential to suppress EGFR activity. Cell.Mol.Life Sci., 78, 2021
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8TBF
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![BU of 8tbf by Molmil](/molmil-images/mine/8tbf) | Tricomplex of RMC-7977, KRAS WT, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, 1,2-ETHANEDIOL, GTPase KRas, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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9AX6
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![BU of 9ax6 by Molmil](/molmil-images/mine/9ax6) | Tricomplex of RMC-6236, KRAS G12D, and CypA | Descriptor: | (1R,2S)-N-[(1P,7S,9S,13R,20M)-21-ethyl-20-{2-[(1R)-1-methoxyethyl]-5-(4-methylpiperazin-1-yl)pyridin-3-yl}-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-2-methylcyclopropane-1-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Saldajeno-Concar, M, Knox, J.E, Yano, J.K. | Deposit date: | 2024-03-05 | Release date: | 2024-04-17 | Last modified: | 2024-06-12 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Translational and Therapeutic Evaluation of RAS-GTP Inhibition by RMC-6236 in RAS-Driven Cancers. Cancer Discov, 14, 2024
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4QXZ
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![BU of 4qxz by Molmil](/molmil-images/mine/4qxz) | |
8GUW
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![BU of 8guw by Molmil](/molmil-images/mine/8guw) | |
5XE3
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![BU of 5xe3 by Molmil](/molmil-images/mine/5xe3) | Endoribonuclease in complex with its cognate antitoxin from Mycobacterial species | Descriptor: | Endoribonuclease MazF4, Probable antitoxin MazE4 | Authors: | Ahn, D.-H, Lee, K.-Y, Lee, S.J, Yoon, H.J, Kim, S.-J, Lee, B.-J. | Deposit date: | 2017-03-31 | Release date: | 2017-10-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analyses of the MazEF4 toxin-antitoxin pair in Mycobacterium tuberculosis provide evidence for a unique extracellular death factor. J. Biol. Chem., 292, 2017
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4OK0
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![BU of 4ok0 by Molmil](/molmil-images/mine/4ok0) | Crystal structure of putative nucleotidyltransferase from H. pylori | Descriptor: | Putative | Authors: | Yoon, J.Y, Lee, S.J, Lee, B, Yang, J.K, Suh, S.W. | Deposit date: | 2014-01-21 | Release date: | 2014-04-09 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal structure of JHP933 from Helicobacter pylori J99 shows two-domain architecture with a DUF1814 family nucleotidyltransferase domain and a helical bundle domain. Proteins, 82, 2014
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4Q25
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![BU of 4q25 by Molmil](/molmil-images/mine/4q25) | Crystal structure of PhoU from Pseudomonas aeruginosa | Descriptor: | Phosphate-specific transport system accessory protein PhoU homolog | Authors: | Lee, S.J, Lee, B.-J, Suh, S.W. | Deposit date: | 2014-04-07 | Release date: | 2015-02-18 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Crystal structure of PhoU from Pseudomonas aeruginosa, a negative regulator of the Pho regulon. J.Struct.Biol., 188, 2014
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7E3W
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![BU of 7e3w by Molmil](/molmil-images/mine/7e3w) | Metallo beta-lactamase fold protein (cAMP bound) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CHLORIDE ION, ... | Authors: | Lee, K.-Y, Kim, D.-G, Lee, B.-J. | Deposit date: | 2021-02-09 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structural and functional studies of SAV1707 from Staphylococcus aureus elucidate its distinct metal-dependent activity and a crucial residue for catalysis. Acta Crystallogr D Struct Biol, 77, 2021
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7E3V
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![BU of 7e3v by Molmil](/molmil-images/mine/7e3v) | Metallo beta-lactamase fold protein (cAMP free) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, NICKEL (II) ION, ... | Authors: | Lee, K.-Y, Kim, D.-G, Lee, B.-J. | Deposit date: | 2021-02-09 | Release date: | 2022-02-23 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural and functional studies of SAV1707 from Staphylococcus aureus elucidate its distinct metal-dependent activity and a crucial residue for catalysis. Acta Crystallogr D Struct Biol, 77, 2021
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5XIX
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![BU of 5xix by Molmil](/molmil-images/mine/5xix) | The canonical domain of human asparaginyl-tRNA synthetase | Descriptor: | Asparagine--tRNA ligase, cytoplasmic, GLYCEROL | Authors: | Park, J.S, Han, B.W. | Deposit date: | 2017-04-28 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Unique N-terminal extension domain of human asparaginyl-tRNA synthetase elicits CCR3-mediated chemokine activity. Int. J. Biol. Macromol., 120, 2018
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4ZYA
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![BU of 4zya by Molmil](/molmil-images/mine/4zya) | The N-terminal extension domain of human asparaginyl-tRNA synthetase | Descriptor: | Asparagine--tRNA ligase, cytoplasmic, CHLORIDE ION, ... | Authors: | Park, J.S, Park, M.C, Goughnour, P, Kim, H.S, Kim, S.J, Kim, H.J, Kim, S.H, Han, B.W. | Deposit date: | 2015-05-21 | Release date: | 2016-05-25 | Last modified: | 2019-04-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Unique N-terminal extension domain of human asparaginyl-tRNA synthetase elicits CCR3-mediated chemokine activity. Int. J. Biol. Macromol., 120, 2018
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7R22
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![BU of 7r22 by Molmil](/molmil-images/mine/7r22) | |
2MX0
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![BU of 2mx0 by Molmil](/molmil-images/mine/2mx0) | Solution structure of HP0268 from Helicobacter pylori | Descriptor: | Uncharacterized protein HP_0268 | Authors: | Lee, K.Y. | Deposit date: | 2014-12-05 | Release date: | 2015-12-09 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure-based functional identification of Helicobacter pylori HP0268 as a nuclease with both DNA nicking and RNase activities Nucleic Acids Res., 43, 2015
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8ERA
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![BU of 8era by Molmil](/molmil-images/mine/8era) | RMC-5552 in complex with mTORC1 and FKBP12 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1-[6-{[(3M)-4-amino-3-(2-amino-1,3-benzoxazol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3,4-dihydroisoquinolin-2(1H)-yl]-3-hydroxypropan-1-one, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2024-06-19 | Method: | ELECTRON MICROSCOPY (2.86 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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8ER6
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![BU of 8er6 by Molmil](/molmil-images/mine/8er6) | FKBP12-FRB in Complex with Compound 11 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5,9,27-trihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, 1,2-ETHANEDIOL, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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8ER7
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![BU of 8er7 by Molmil](/molmil-images/mine/8er7) | FKBP12-FRB in Complex with Compound 12 | Descriptor: | (3S,5R,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-5,10,21-trimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone, CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase FKBP1A, ... | Authors: | Tomlinson, A.C.A, Yano, J.K. | Deposit date: | 2022-10-11 | Release date: | 2022-12-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.07 Å) | Cite: | Discovery of RMC-5552, a Selective Bi-Steric Inhibitor of mTORC1, for the Treatment of mTORC1-Activated Tumors. J.Med.Chem., 66, 2023
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2N8N
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![BU of 2n8n by Molmil](/molmil-images/mine/2n8n) | Solution structure of translation initiation factor | Descriptor: | Translation initiation factor IF-1 | Authors: | Kim, D, Lee, K, Lee, B. | Deposit date: | 2015-10-21 | Release date: | 2016-10-26 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and dynamics study of translation initiation factor 1 from Staphylococcus aureus suggests its RNA binding mode Biochim.Biophys.Acta, 1865, 2017
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2K6P
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![BU of 2k6p by Molmil](/molmil-images/mine/2k6p) | Solution Structure of hypothetical protein, HP1423 | Descriptor: | Uncharacterized protein HP_1423 | Authors: | Kim, J, Park, S, Lee, K, Son, W, Sohn, N, Lee, B. | Deposit date: | 2008-07-15 | Release date: | 2009-06-16 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution structure of hypothetical protein HP1423 (Y1423_HELPY) reveals the presence of alphaL motif related to RNA binding Proteins, 75, 2009
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2KI2
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![BU of 2ki2 by Molmil](/molmil-images/mine/2ki2) | Solution Structure of ss-DNA Binding Protein 12RNP2 Precursor, HP0827(O25501_HELPY) form Helicobacter pylori | Descriptor: | Ss-DNA binding protein 12RNP2 | Authors: | Ma, C, Lee, J, Kim, J, Park, S, Kwon, A, Lee, B. | Deposit date: | 2009-04-20 | Release date: | 2009-10-20 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | NMR solution structure of HP0827 (O25501_HELPY) from Helicobacter pylori: model of the possible RNA-binding site J.Biochem., 146, 2009
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4FDD
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![BU of 4fdd by Molmil](/molmil-images/mine/4fdd) | Crystal structure of KAP beta2-PY-NLS | Descriptor: | RNA-binding protein FUS, Transportin-1 | Authors: | Zhang, Z.C, Chook, Y.M. | Deposit date: | 2012-05-28 | Release date: | 2012-07-18 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and energetic basis of ALS-causing mutations in the atypical proline-tyrosine nuclear localization signal of the Fused in Sarcoma protein (FUS). Proc.Natl.Acad.Sci.USA, 109, 2012
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6KHM
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![BU of 6khm by Molmil](/molmil-images/mine/6khm) | Lipase (Open form) | Descriptor: | Hydrolase, alpha/beta domain protein, heptane-1,1-diol, ... | Authors: | Kim, H.J, Kwon, A.R. | Deposit date: | 2019-07-16 | Release date: | 2020-07-22 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Closed, blocked, and open states of lipase from type II Cutibacterium acnes To Be Published
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