6J1O
 
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6J46
 | | LepI-SAH complex structure | | Descriptor: | O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Qiu, S, Wei, C. | | Deposit date: | 2019-01-08 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.621 Å) | | Cite: | Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
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6J24
 | | Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate | | Descriptor: | (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Qiu, S, Wei, C. | | Deposit date: | 2018-12-30 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.244 Å) | | Cite: | Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
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3GFP
 | | Structure of the C-terminal domain of the DEAD-box protein Dbp5 | | Descriptor: | DEAD box protein 5 | | Authors: | Erzberger, J.P, Dossani, Z.Y, Weirich, C.S, Weis, K, Berger, J.M. | | Deposit date: | 2009-02-27 | | Release date: | 2009-09-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure of the C-terminus of the mRNA export factor Dbp5 reveals the interaction surface for the ATPase activator Gle1
Proc.Natl.Acad.Sci.USA, 106, 2009
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7DZ9
 | | MbnABC complex | | Descriptor: | FE (III) ION, MbnA, MbnB, ... | | Authors: | Chao, D, Dan, Z, Yijun, G, Wei, C. | | Deposit date: | 2021-01-25 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022
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7FC0
 | | Reconstitution of MbnABC complex from Rugamonas rubra ATCC-43154 (GroupIII) | | Descriptor: | FE (III) ION, Methanobactin biosynthesis cassette protein MbnB, Methanobactin biosynthesis cassette protein MbnC, ... | | Authors: | Chao, D, Zhaolin, L, Shoujie, L, Li, Z, Dan, Z, Ying, J, Wei, C. | | Deposit date: | 2021-07-13 | | Release date: | 2022-03-16 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.643 Å) | | Cite: | Crystal structure and catalytic mechanism of the MbnBC holoenzyme required for methanobactin biosynthesis.
Cell Res., 32, 2022
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7EFS
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6BNS
 | | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES | | Descriptor: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera | | Authors: | DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H. | | Deposit date: | 2017-11-17 | | Release date: | 2017-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity.
Bioorg. Med. Chem. Lett., 28, 2018
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6XIW
 | | Cryo-EM structure of the sodium leak channel NALCN-FAM155A complex | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kschonsak, M, Chua, H.C, Noland, C.L, Weidling, C, Clairfeuille, T, Bahlke, O.O, Ameen, A.O, Li, Z.R, Arthur, C.P, Ciferri, C, Pless, S.A, Payandeh, J. | | Deposit date: | 2020-06-22 | | Release date: | 2020-07-29 | | Last modified: | 2020-11-25 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Structure of the human sodium leak channel NALCN.
Nature, 587, 2020
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7SX3
 | | Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 1/2 | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J. | | Deposit date: | 2021-11-22 | | Release date: | 2021-12-29 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
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7SX4
 | | Human NALCN-FAM155A-UNC79-UNC80 channelosome with CaM bound, conformation 2/2 | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kschonsak, M, Chua, H.C, Weidling, C, Chakouri, N, Noland, C.L, Schott, K, Chang, T, Tam, C, Patel, N, Arthur, C.P, Leitner, A, Ben-Johny, M, Ciferri, C, Pless, S.A, Payandeh, J. | | Deposit date: | 2021-11-22 | | Release date: | 2021-12-29 | | Last modified: | 2022-03-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structural architecture of the human NALCN channelosome.
Nature, 603, 2022
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6VRQ
 | | Crystal structure of gl12A21 Fab in complex with anti-idiotypic iv12 Fab | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Aljedani, S.S, Weidle, C, Pancera, M. | | Deposit date: | 2020-02-08 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Development of a VRC01-class germline targeting immunogen derived from anti-idiotypic antibodies.
Cell Rep, 35, 2021
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4U8H
 | | Crystal Structure of Mammalian Period-Cryptochrome Complex | | Descriptor: | Cryptochrome-2, Period circadian protein homolog 2, ZINC ION | | Authors: | Nangle, S.N, Rosensweig, C, Koike, N, Tei, H, Takahashi, J.S, Green, C.B, Zheng, N. | | Deposit date: | 2014-08-03 | | Release date: | 2014-10-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.798 Å) | | Cite: | Molecular assembly of the period-cryptochrome circadian transcriptional repressor complex.
Elife, 3, 2014
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4U80
 | | MEK 1 kinase bound to G799 | | Descriptor: | 3-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)furo[3,2-c]pyridine-2-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Ultsch, M.H, Robarge, K.D, Weismann, C. | | Deposit date: | 2014-07-31 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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6MYY
 | | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 3 Fabs bound, sharpened map | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c DS-SOSIP D3, ... | | Authors: | Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. | | Deposit date: | 2018-11-02 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core.
Elife, 7, 2018
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6MZJ
 | | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer, 2 Fabs bound, sharpened map | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c DS-SOSIP D3, ... | | Authors: | Borst, A.J, Weidle, C.E, Gray, M.D, Frenz, B, Snijder, J, Joyce, M.G, Georgiev, I.S, Stewart-Jones, G.B.E, Kwong, P.D, McGuire, A.T, DiMaio, F, Stamatatos, L, Pancera, M, Veesler, D. | | Deposit date: | 2018-11-05 | | Release date: | 2018-11-14 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | Germline VRC01 antibody recognition of a modified clade C HIV-1 envelope trimer and a glycosylated HIV-1 gp120 core.
Elife, 7, 2018
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6XOC
 | | Crystal structure of glVRC01 Fab in complex with anti-idiotypic iv4 Fab | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Aljedani, S.S, Weidle, C, Pancera, M. | | Deposit date: | 2020-07-06 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Development of a VRC01-class germline targeting immunogen derived from anti-idiotypic antibodies.
Cell Rep, 35, 2021
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4RKF
 | | Drosophila melanogaster Rab3 bound to GMPPNP | | Descriptor: | MAGNESIUM ION, PENTAETHYLENE GLYCOL, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | | Authors: | Lardong, J.A, Driller, J.H, Depner, H, Weise, C, Petzoldt, A, Wahl, M.C, Sigrist, S.J, Loll, B. | | Deposit date: | 2014-10-13 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structures of Drosophila melanogaster Rab2 and Rab3 bound to GMPPNP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
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4RKE
 | | Drosophila melanogaster Rab2 bound to GMPPNP | | Descriptor: | GH01619p, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ... | | Authors: | Lardong, J.A, Driller, J.H, Depner, H, Weise, C, Petzoldt, A, Wahl, M.C, Sigrist, S.J, Loll, B. | | Deposit date: | 2014-10-13 | | Release date: | 2014-12-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.0006 Å) | | Cite: | Structures of Drosophila melanogaster Rab2 and Rab3 bound to GMPPNP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
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4U81
 | | MEK1 Kinase bound to small molecule inhibitor G659 | | Descriptor: | 8-[(4-cyclopropyl-2-fluorophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Robarge, K.D, Ultsch, M.H, Weismann, C. | | Deposit date: | 2014-07-31 | | Release date: | 2014-09-24 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Structure based design of novel 6,5 heterobicyclic mitogen-activated protein kinase kinase (MEK) inhibitors leading to the discovery of imidazo[1,5-a] pyrazine G-479.
Bioorg.Med.Chem.Lett., 24, 2014
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4QXS
 | | Crystal structure of human FPPS in complex with WC01088 | | Descriptor: | (2-{2-[(2S)-3-methylbutan-2-yl]-5-phenyl-1H-indol-3-yl}ethane-1,1-diyl)bis(phosphonic acid), Farnesyl pyrophosphate synthase, GLYCEROL, ... | | Authors: | Park, J, Zielinski, M, Weiling, C, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2014-07-21 | | Release date: | 2015-02-25 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Probing the molecular and structural elements of ligands binding to the active site versus an allosteric pocket of the human farnesyl pyrophosphate synthase.
Bioorg.Med.Chem.Lett., 25, 2015
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6B5M
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6B5N
 | | Structure of PfCSP peptide 25 with human protective antibody CIS43 | | Descriptor: | CIS43 Fab Heavy chain, CIS43 Fab Light chain, pfCSP peptide 25: ASN-VAL-ASP-PRO-ASN-ALA-ASN-PRO-ASN-VAL-ASP | | Authors: | Pancera, M, Weidle, C. | | Deposit date: | 2017-09-29 | | Release date: | 2018-03-21 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
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6B5O
 | | Structure of PfCSP peptide 29 with human protective antibody CIS43 | | Descriptor: | CIS43 Fab Heavy chain, CIS43 Fab Light chain, PfCSP peptide 29: ASN-PRO-ASN-ALA-ASN-PRO-ASN-ALA-ASN | | Authors: | Pancera, M, Weidle, C. | | Deposit date: | 2017-09-29 | | Release date: | 2018-03-21 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (2.194 Å) | | Cite: | A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
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6B5L
 | | Structure of PfCSP peptide 20 with human protective antibody CIS43 | | Descriptor: | CIS43 Fab Heavy chain, CIS43 Fab Light Chain, PfCSP peptide 20: ASN-PRO-ASP-PRO-ASN-ALA-ASN-PRO-ASN-VAL | | Authors: | Pancera, M, Weidle, C. | | Deposit date: | 2017-09-29 | | Release date: | 2018-03-21 | | Last modified: | 2018-04-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A human monoclonal antibody prevents malaria infection by targeting a new site of vulnerability on the parasite.
Nat. Med., 24, 2018
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