9C4M
 
 | | Crystal Structure of A. baumannii GuaB dCBS with inhibitor G6 (3826) | | Descriptor: | INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase, N-[4-chloro-3-(morpholin-4-yl)phenyl]-N~2~-[3-(hydroxymethyl)quinolin-6-yl]-L-alaninamide | | Authors: | Harris, S.F, Wu, P. | | Deposit date: | 2024-06-04 | | Release date: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Differential effects of inosine monophosphate dehydrogenase (IMPDH/GuaB) inhibition in Acinetobacter baumannii and Escherichia coli.
J.Bacteriol., 2024
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9C4I
 | | Centrolobium microchaete seed lectin (CML) complexed with Man1-3Man-OMe | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, GLYCEROL, ... | | Authors: | Nascimento, K.S, Pinto-Junior, V.R, Lima, F.E.O, Osterne, V.J.S, Oliveira, M.V, Ferreira, V.M.S, Cavada, B.S. | | Deposit date: | 2024-06-04 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Centrolobium microchaete seed lectin (CML) complexed with Man1-3Man-OMe
To Be Published
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9C4G
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9C4D
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9C4C
 | | The structure of two MntR dimers bound to the native mnep promoter sequence | | Descriptor: | DNA (38-MER), DNA (39-MER), HTH-type transcriptional regulator MntR, ... | | Authors: | Shi, H, Fu, Y, Glasfeld, A, Ahuja, S. | | Deposit date: | 2024-06-04 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | The structure of two MntR dimers bound to the native mnep promoter sequence.
To Be Published
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9C4B
 | | Second BAF53a of the human TIP60 complex | | Descriptor: | Actin-like protein 6A | | Authors: | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | Deposit date: | 2024-06-03 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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9C49
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9C47
 | | TRRAP module of the human TIP60 complex | | Descriptor: | E1A-binding protein p400, Transformation/transcription domain-associated protein | | Authors: | Yang, Z, Mameri, A, Florez Ariza, A.J, Cote, J, Nogales, E. | | Deposit date: | 2024-06-03 | | Release date: | 2024-08-14 | | Last modified: | 2024-09-11 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural insights into the human NuA4/TIP60 acetyltransferase and chromatin remodeling complex.
Science, 385, 2024
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9C3U
 | | Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrate containing GTTTAC as recognition sequence | | Descriptor: | DNA1, DNA2, Methyltransferase, ... | | Authors: | Kottur, J, Quintana-Feliciano, R, Aggarwal, A.K. | | Deposit date: | 2024-06-02 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024
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9C3T
 | | Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrate containing GTAAAC as recognition sequence | | Descriptor: | DNA1, DNA2, Methyltransferase, ... | | Authors: | Kottur, J, Quintana-Feliciano, R, Aggarwal, A.K. | | Deposit date: | 2024-06-02 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-25 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024
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9C3S
 | | Crystal structure of DNA N6-Adenine Methyltransferase M.BceJIV from Burkholderia cenocepacia in complex with duplex DNA substrate containing GTATAC as recognition sequence | | Descriptor: | DNA1, DNA2, Methyltransferase, ... | | Authors: | Kottur, J, Quintana-Feliciano, R, Aggarwal, A.K. | | Deposit date: | 2024-06-02 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Burkholderia cenocepacia epigenetic regulator M.BceJIV simultaneously engages two DNA recognition sequences for methylation.
Nat Commun, 15, 2024
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9C3E
 | | TCR - CD3 complex bound to HLA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL, Cancer/testis antigen 1,Beta-2-microglobulin,MHC class I antigen, ... | | Authors: | Notti, R.Q, Walz, T. | | Deposit date: | 2024-05-31 | | Release date: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | The resting and ligand-bound states of the membrane-embedded human T-cell receptor-CD3 complex.
Biorxiv, 2024
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9C3D
 | | Crystal structure of metallo-beta-lactamase superfamily protein CcrA-like_MBL-B1 from Dyadobacter fermentans | | Descriptor: | Metallo-beta-lactamase type 2, ZINC ION | | Authors: | Kim, Y, Maltseva, N, Welk, L, Endres, M, Joachimiak, A, Center for Structural Biology of Infectious Diseases (CSBID) | | Deposit date: | 2024-05-31 | | Release date: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of metallo-beta-lactamase superfamily protein CcrA-like_MBL-B1 from Dyadobacter fermentans
To Be Published
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9C2F
 | | Structure of Calcium-Sensing Receptor in complex with positive allosteric modulator '54149 | | Descriptor: | (1R)-1-(2H-1,3-benzodioxol-4-yl)-N-[2-(1,2-benzothiazol-3-yl)ethyl]ethan-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Wu, C, Skiniotis, G. | | Deposit date: | 2024-05-30 | | Release date: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Large library docking identifies positive allosteric modulators of the calcium-sensing receptor.
Science, 385, 2024
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9C2C
 | | Cryo-EM structure of the human P2X1 receptor in the NF449-bound inhibited state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,4',4'',4'''-{carbonylbis[azanediylbenzene-5,1,3-triylbis(carbonylazanediyl)]}tetra(benzene-1,3-disulfonic acid), P2X purinoceptor 1 | | Authors: | Oken, A.C, Lisi, N.E, Ditter, I.A, Shi, H, Mansoor, S.E. | | Deposit date: | 2024-05-30 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Cryo-EM structures of the human P2X1 receptor reveal subtype-specific architecture and antagonism by supramolecular ligand-binding.
Nat Commun, 15, 2024
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9C2B
 | | Cryo-EM structure of the human P2X1 receptor in the ATP-bound desensitized state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Oken, A.C, Lisi, N.E, Ditter, I.A, Shi, H, Mansoor, S.E. | | Deposit date: | 2024-05-30 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.42 Å) | | Cite: | Cryo-EM structures of the human P2X1 receptor reveal subtype-specific architecture and antagonism by supramolecular ligand-binding.
Nat Commun, 15, 2024
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9C2A
 | | Cryo-EM structure of the human P2X1 receptor in the apo closed state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Oken, A.C, Lisi, N.E, Ditter, I.A, Shi, H, Mansoor, S.E. | | Deposit date: | 2024-05-30 | | Release date: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.74 Å) | | Cite: | Cryo-EM structures of the human P2X1 receptor reveal subtype-specific architecture and antagonism by supramolecular ligand-binding.
Nat Commun, 15, 2024
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9C20
 | | The Sialidase NanJ in complex with Neu5,9Ac | | Descriptor: | 1,2-ETHANEDIOL, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, exo-alpha-sialidase | | Authors: | Medley, B.J, Low, K.E, Garber, J.M, Gray, T.E, Leeann, L.L, Fordwour, O.B, Inglis, G.D, Boons, G.J, Zandberg, W.F, Abbott, W, Boraston, A. | | Deposit date: | 2024-05-30 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2.699 Å) | | Cite: | NanJ sialidase in complex with Neu5,9Ac
To Be Published
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9C1W
 | | Structure of AKT2 with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 4-{2-[({4-[(2P)-2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl]phenyl}methyl)amino]ethyl}-2-hydroxybenzaldehyde, RAC-beta serine/threonine-protein kinase | | Authors: | Craven, G.B, Ma, X, Taunton, J. | | Deposit date: | 2024-05-29 | | Release date: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mutant-selective AKT1 inhibitors via lysine targeting and neo-zinc chelation
To Be Published
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9C1U
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9C1R
 | | Crystal structure of mutant cMET D1228N kinase domain in complex with inhibitor compound 13 | | Descriptor: | GLYCEROL, Hepatocyte growth factor receptor, N-(2,5-difluoro-4-{[(1s,3S)-3-(1-methyl-1H-pyrazol-3-yl)cyclobutyl][(8R)-pyrazolo[1,5-a]pyrazin-4-yl]amino}phenyl)-2-(5-fluoropyridin-2-yl)-3-oxo-2,3-dihydropyridazine-4-carboxamide | | Authors: | Simpson, H, Wu, W.-I, Mou, T.-C. | | Deposit date: | 2024-05-29 | | Release date: | 2024-08-21 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Discovery of Pyrazolopyrazines as Selective, Potent, and Mutant-Active MET Inhibitors with Intracranial Efficacy.
J.Med.Chem., 67, 2024
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9C1Q
 | | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound | | Descriptor: | (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-(3-methoxyprop-1-yn-1-yl)-1H-pyrrole-3-carboxamide, CHLORIDE ION, DDB1- and CUL4-associated factor 1, ... | | Authors: | kimani, S, Dong, A, Li, Y, Seitova, A, Al-awar, R, Wilson, B, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L. | | Deposit date: | 2024-05-29 | | Release date: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the WDR domain of human DCAF1 in complex with OICR-39512 compound
To be published
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9C1P
 | | Structure of Calcium-Sensing Receptor in complex with positive allosteric modulator '6218 | | Descriptor: | (5R)-N-[2-(1,2-benzothiazol-3-yl)ethyl]-1-methyl-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Wu, C, Skiniotis, G. | | Deposit date: | 2024-05-29 | | Release date: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Large library docking identifies positive allosteric modulators of the calcium-sensing receptor.
Science, 385, 2024
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9C1B
 | | Crystal structure of GDP-bound human M-RAS protein in crystal form II | | Descriptor: | DI(HYDROXYETHYL)ETHER, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Bester, S.M, Abrahamsen, R, Samora, L.R, Wu, W.-I, Mou, T.-C. | | Deposit date: | 2024-05-28 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of the GDP-bound human M-RAS protein in two crystal forms.
Acta Crystallogr.,Sect.F, 80, 2024
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9C1A
 | | Crystal structure of GDP-bound human M-RAS protein in crystal form I | | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Bester, S.M, Abrahamsen, R, Samora, L.R, Wu, W.-I, Mou, T.-C. | | Deposit date: | 2024-05-28 | | Release date: | 2024-09-11 | | Last modified: | 2024-09-18 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | Crystal structure of the GDP-bound human M-RAS protein in two crystal forms.
Acta Crystallogr.,Sect.F, 80, 2024
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