2P71
 
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6B1L
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5X3Z
 | | Solution structure of musashi1 RBD2 in complex with RNA | | Descriptor: | RNA (5'-R(*GP*UP*AP*GP*U)-3'), RNA-binding protein Musashi homolog 1 | | Authors: | Iwaoka, R, Nagata, T, Tsuda, K, Imai, T, Okano, H, Kobayashi, N, Katahira, M. | | Deposit date: | 2017-02-09 | | Release date: | 2017-12-13 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structural Insight into the Recognition of r(UAG) by Musashi-1 RBD2, and Construction of a Model of Musashi-1 RBD1-2 Bound to the Minimum Target RNA
Molecules, 22, 2017
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6I7S
 | | Microsomal triglyceride transfer protein | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ... | | Authors: | Biterova, E, Isupov, M.N, Keegan, R.M, Lebedev, A.A, Ruddock, L.W. | | Deposit date: | 2018-11-17 | | Release date: | 2019-08-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The crystal structure of human microsomal triglyceride transfer protein.
Proc.Natl.Acad.Sci.USA, 116, 2019
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4Z50
 | | Crystal Structure of Multidrug Resistant HIV-1 Protease Clinical Isolate PR20D25N with Tucked Flap | | Descriptor: | CHLORIDE ION, GLYCEROL, Protease, ... | | Authors: | Agniswamy, J, Shen, C.-H, Weber, I.T. | | Deposit date: | 2015-04-02 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Conformational variation of an extreme drug resistant mutant of HIV protease.
J.Mol.Graph.Model., 62, 2015
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6TT7
 | | Ovine ATP synthase 1a state | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ADENOSINE-5'-DIPHOSPHATE, ATP synthase F(0) complex subunit C1, ... | | Authors: | Pinke, G, Zhou, L, Sazanov, L.A. | | Deposit date: | 2019-12-23 | | Release date: | 2020-09-23 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structure of the entire mammalian F-type ATP synthase.
Nat.Struct.Mol.Biol., 27, 2020
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5XFC
 | | Serial femtosecond X-ray structure of a stem domain of human O-mannose beta-1,2-N-acetylglucosaminyltransferase solved by Se-SAD using XFEL (refined against 13,000 patterns) | | Descriptor: | 4-nitrophenyl beta-D-mannopyranoside, Protein O-linked-mannose beta-1,2-N-acetylglucosaminyltransferase 1 | | Authors: | Kuwabara, N, Fumiaki, Y, Kato, R, Manya, H. | | Deposit date: | 2017-04-10 | | Release date: | 2017-08-30 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Experimental phase determination with selenomethionine or mercury-derivatization in serial femtosecond crystallography
IUCrJ, 4, 2017
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8IBT
 | | Crystal structure of GH42 beta-galactosidase BiBga42A from Bifidobacterium longum subspecies infantis E318S mutant in complex with lacto-N-tetraose | | Descriptor: | Beta-galactosidase, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Hidaka, M, Fushinobu, S, Gotoh, A, Katayama, T. | | Deposit date: | 2023-02-10 | | Release date: | 2023-06-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Substrate recognition mode of a glycoside hydrolase family 42 beta-galactosidase from Bifidobacterium longum subspecies infantis ( Bi Bga42A) revealed by crystallographic and mutational analyses.
Microbiome Res Rep, 2, 2023
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5MRH
 | | Crystal structure of the Vps10p domain of human sortilin/NTS3 in complex with Triazolone 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(3-methylbutyl)-4~{H}-1,2,3-triazol-5-one, Sortilin, ... | | Authors: | Andersen, J.L, Strandbygaard, D, Thirup, S. | | Deposit date: | 2016-12-23 | | Release date: | 2017-05-17 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | The identification of novel acid isostere based inhibitors of the VPS10P family sorting receptor Sortilin.
Bioorg. Med. Chem. Lett., 27, 2017
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4JXQ
 | | Crystal structure of a GNAT superfamily phosphinothricin acetyltransferase (Pat) from Sinorhizobium meliloti 1021 | | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase, CITRATE ANION, ... | | Authors: | Majorek, K.A, Cooper, D.R, Osinski, T, Ahmed, M, Stead, M, Hillerich, B, Seidel, R, Bonanno, J.B, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC) | | Deposit date: | 2013-03-28 | | Release date: | 2013-05-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Crystal structure of a GNAT superfamily phosphinothricin acetyltransferase (Pat) from Sinorhizobium meliloti 1021
To be Published
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5H3Q
 | | Crystal Structure of TrkA kinase with ligand | | Descriptor: | 1-[(3S,4R)-4-[3,4-bis(fluoranyl)phenyl]-1-(2-methoxyethyl)pyrrolidin-3-yl]-3-(5-ethoxy-4-methyl-2-phenyl-pyrazol-3-yl)urea, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, High affinity nerve growth factor receptor, ... | | Authors: | Noritaka, F. | | Deposit date: | 2016-10-26 | | Release date: | 2017-02-22 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The juxtamembrane region of TrkA kinase is critical for inhibitor selectivity
Bioorg. Med. Chem. Lett., 27, 2017
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5TY0
 | | 2.22 Angstrom Crystal Structure of N-terminal Fragment (residues 1-419) of Elongation Factor G from Legionella pneumophila. | | Descriptor: | Elongation factor G, SODIUM ION, beta-D-glucopyranose | | Authors: | Minasov, G, Wawrzak, Z, Shuvalova, L, Cardona-Correa, A, Dubrovska, I, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2016-11-17 | | Release date: | 2016-11-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | 2.22 Angstrom Crystal Structure of N-terminal Fragment (residues 1-419) of Elongation Factor G from Legionella pneumophila.
To Be Published
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8I5X
 | | Structure of human Nav1.7 in complex with Vinpocetine | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Wu, Q.R, Yan, N. | | Deposit date: | 2023-01-26 | | Release date: | 2023-06-14 | | Last modified: | 2024-10-30 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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3I2F
 | | Cocaine Esterase with mutations T172R / G173Q, bound to DTT adduct | | Descriptor: | (4S,5S)-4,5-BIS(MERCAPTOMETHYL)-1,3-DIOXOLAN-2-OL, CHLORIDE ION, Cocaine esterase, ... | | Authors: | Tesmer, J.J.G, Nance, M.R. | | Deposit date: | 2009-06-29 | | Release date: | 2010-06-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural analysis of thermostabilizing mutations of cocaine esterase.
Protein Eng.Des.Sel., 23, 2010
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8I5Y
 | | Structure of human Nav1.7 in complex with vixotrigine | | Descriptor: | (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Wu, Q.R, Yan, N. | | Deposit date: | 2023-01-26 | | Release date: | 2023-06-14 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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4JV6
 | | The crystal structure of PDE6D in complex to inhibitor-1 | | Descriptor: | 1-benzyl-2-phenyl-1H-benzimidazole, Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta | | Authors: | Gunther, Z, Papke, B, Ismail, S, Vartak, N, Chandra, A, Hoffmann, M, Hahn, S, Triola, G, Wittinghofer, A, Bastiaens, P, Waldmann, H. | | Deposit date: | 2013-03-25 | | Release date: | 2013-05-22 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Small molecule inhibition of the KRAS PDEd interaction impairs oncogenic KRAS signalling
Nature, 497, 2013
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242D
 | | MAD PHASING STRATEGIES EXPLORED WITH A BROMINATED OLIGONUCLEOTIDE CRYSTAL AT 1.65 A RESOLUTION. | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*(CBR)P*G)-3') | | Authors: | Peterson, M.R, Harrop, S.J, McSweeney, S.M, Leonard, G.A, Thompson, A.W, Hunter, W.N, Helliwell, J.R. | | Deposit date: | 1996-06-20 | | Release date: | 1996-09-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | MAD Phasing Strategies Explored with a Brominated Oligonucleotide Crystal at 1.65A Resolution.
J.Synchrotron Radiat., 3, 1996
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9GFF
 | | BCR Fab from the subset 1 chronic lymphocytic leukaemia case P10015 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BCR P10015 heavy chain, BCR P10015 light chain | | Authors: | Minici, C, Degano, M. | | Deposit date: | 2024-08-09 | | Release date: | 2025-08-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Defective cell-autonomous signalling and antigenic polyreactivity of B-cell receptors from chronic lymphocytic leukaemia stereotyped subset 1
To Be Published
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8I5G
 | | Structure of human Nav1.7 in complex with PF-05089771 | | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ... | | Authors: | Wu, Q.R, Yan, N. | | Deposit date: | 2023-01-25 | | Release date: | 2023-06-14 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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5MU6
 | | Human N-myristoyltransferase (NMT1) with Myristoyl-CoA and IMP-1088 inhibitor bound | | Descriptor: | 1-[5-[3,4-bis(fluoranyl)-2-[2-(1,3,5-trimethylpyrazol-4-yl)ethoxy]phenyl]-1-methyl-indazol-3-yl]-~{N},~{N}-dimethyl-methanamine, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase 1, ... | | Authors: | Perez-Dorado, I, Bell, A.S, Tate, E.W. | | Deposit date: | 2017-01-12 | | Release date: | 2018-02-14 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Fragment-derived inhibitors of human N-myristoyltransferase block capsid assembly and replication of the common cold virus.
Nat Chem, 10, 2018
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3HHB
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4BY2
 | | SAS-4 (dCPAP) TCP domain in complex with a Proline Rich Motif of Ana2 (dSTIL) of Drosophila Melanogaster | | Descriptor: | 1,2-ETHANEDIOL, ANASTRAL SPINDLE 2, SAS 4 | | Authors: | Cottee, M.A, Muschalik, N, Wong, Y.L, Johnson, C.M, Johnson, S, Andreeva, A, Oegema, K, Lea, S.M, Raff, J.W, van Breugel, M. | | Deposit date: | 2013-07-17 | | Release date: | 2013-09-18 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Crystal structures of the CPAP/STIL complex reveal its role in centriole assembly and human microcephaly.
Elife, 2, 2013
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6TPJ
 | | Crystal structure of the Orexin-2 receptor in complex with suvorexant at 2.76 A resolution | | Descriptor: | AMMONIUM ION, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Hypocretin receptor-2, ... | | Authors: | Rappas, M, Ali, A, Bennett, K.A, Brown, J.D, Bucknell, S.J, Congreve, M, Cooke, R.M, Cseke, G, de Graaf, C, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Mason, J.S, Mould, R, Patel, J.C, Tehan, B.G, Weir, M, Christopher, J.A. | | Deposit date: | 2019-12-13 | | Release date: | 2020-01-01 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (2.74 Å) | | Cite: | Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis.
J.Med.Chem., 63, 2020
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2WEI
 | | Crystal structure of the kinase domain of Cryptosporidium parvum calcium dependent protein kinase in complex with 3-MB-PP1 | | Descriptor: | 1-tert-butyl-3-(3-methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALMODULIN-DOMAIN PROTEIN KINASE 1, PUTATIVE | | Authors: | Roos, A.K, King, O, Chaikuad, A, Zhang, C, Shokat, K.M, Wernimont, A.K, Artz, J.D, Lin, L, MacKenzie, F.I, Finerty, P.J, Vedadi, M, Schapira, M, Indarte, M, Kozieradzki, I, Pike, A.C.W, Fedorov, O, Doyle, D, Muniz, J, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Heightman, T, Hui, R. | | Deposit date: | 2009-03-31 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The Cryptosporidium Parvum Kinome.
Bmc Genomics, 12, 2011
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6BD7
 | | Crystal structure of human CYP3A4 bound to an inhibitor | | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-3-oxo-2-[(propan-2-yl)amino]-3-{[(pyridin-3-yl)methyl]amino}propyl]sulfanyl}-3-phenylpropan-2-yl]carbamate | | Authors: | Sevrioukova, I. | | Deposit date: | 2017-10-21 | | Release date: | 2017-12-13 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Interaction of the rationally designed ritonavir-like inhibitors with human cytochrome P450 3A4: Impact of the side group interplay
Mol. Pharm., 2017
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