7RM5
 
 | | MicroED structure of the human adenosine receptor at 2.8A | | 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 chimera, CHOLESTEROL, ... | | Authors: | Martynowycz, M.W, Shiriaeva, A, Ge, X, Hattne, J, Nannenga, B.L, Cherezov, V, Gonen, T. | | Deposit date: | 2021-07-26 | | Release date: | 2021-09-08 | | Last modified: | 2023-10-18 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.79 Å) | | Cite: | MicroED structure of the human adenosine receptor determined from a single nanocrystal in LCP.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7LH8
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH INHIBITOR JJ-II-131 | | Descriptor: | (5R)-1-ethyl-5-(4-methylphenyl)-7-({1-[(4-nitrophenyl)methyl]piperidin-4-yl}methyl)-5,7,8,9-tetrahydro-1H-pyrrolo[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | | Authors: | Schonbrunn, E, Chan, A. | | Deposit date: | 2021-01-21 | | Release date: | 2022-07-06 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dihydropyridine Lactam Analogs Targeting BET Bromodomains.
Chemmedchem, 17, 2022
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6ZO8
 | | Minocycline binding to the deep binding pocket of AcrB-G621P | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl didecanoate, (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate, (4S,4AS,5AR,12AS)-4,7-BIS(DIMETHYLAMINO)-3,10,12,12A-TETRAHYDROXY-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2- CARBOXAMIDE, ... | | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
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5HUT
 | | Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP-glucose | | Descriptor: | Alpha,alpha-trehalose-phosphate synthase [UDP-forming], PENTAETHYLENE GLYCOL, SODIUM ION, ... | | Authors: | Miao, Y, Brennan, R.G. | | Deposit date: | 2016-01-27 | | Release date: | 2017-05-03 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
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6ZO7
 | | 3-Formylrifamycin SV binding to the access pocket of AcrB-G619P L and T protomer | | Descriptor: | (2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-8-formyl-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptam ethyl-1,11-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)naphtho[2,1-b]furan-21-yl acetate, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Tam, H.K, Foong, W.E, Pos, K.M. | | Deposit date: | 2020-07-07 | | Release date: | 2021-05-19 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Allosteric drug transport mechanism of multidrug transporter AcrB.
Nat Commun, 12, 2021
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8RVC
 | | Crystal structure of alpha keto acid C-methyl-transferases MrsA bound to ketoarginine | | Descriptor: | 1,2-ETHANEDIOL, 2-ketoarginine methyltransferase, 5-[(diaminomethylidene)amino]-2-oxopentanoic acid, ... | | Authors: | Gerhardt, S, Kemper, F, Andexer, J.N. | | Deposit date: | 2024-02-01 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.969 Å) | | Cite: | Structures and protein engineering of the alpha-keto acid C-methyltransferases SgvM and MrsA for rational substrate transfer.
Chembiochem, 2024
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6IJY
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7RC0
 | | X-ray Structure of SARS-CoV-2 main protease covalently modified by compound GRL-091-20 | | Descriptor: | 3C-like proteinase, 5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate, SODIUM ION | | Authors: | Mesecar, A.D, Anson, B.A, Ghosh, A.K, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2021-07-06 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Indole Chloropyridinyl Ester-Derived SARS-CoV-2 3CLpro Inhibitors: Enzyme Inhibition, Antiviral Efficacy, Structure-Activity Relationship, and X-ray Structural Studies.
J.Med.Chem., 64, 2021
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7RTM
 | | Cryo-EM Structure of the Sodium-driven Chloride/Bicarbonate Exchanger NDCBE (SLC4A8) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Wang, W.G, Tsirulnikov, K, Zhekova, H, Kayik, G, Muhammad-Khan, H, Azimov, R, Abuladze, N, Kao, L, Newman, D, Noskov, S.Y, Zhou, Z.H, Pushkin, A, Kurtz, I. | | Deposit date: | 2021-08-13 | | Release date: | 2021-09-29 | | Last modified: | 2021-10-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Cryo-EM structure of the sodium-driven chloride/bicarbonate exchanger NDCBE.
Nat Commun, 12, 2021
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8RWM
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8RVS
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7RTR
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5HNJ
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2MEG
 | | CHANGES IN CONFORMATIONAL STABILITY OF A SERIES OF MUTANT HUMAN LYSOZYMES AT CONSTANT POSITIONS. | | Descriptor: | LYSOZYME, SODIUM ION | | Authors: | Funahashi, J, Takano, K, Yamagata, Y, Yutani, K. | | Deposit date: | 1998-05-02 | | Release date: | 1998-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Contribution of amino acid substitutions at two different interior positions to the conformational stability of human lysozyme
Protein Eng., 12, 1999
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2MEF
 | | CONTRIBUTION OF HYDROPHOBIC EFFECT TO THE CONFORMATIONAL STABILITY OF HUMAN LYSOZYME | | Descriptor: | LYSOZYME, SODIUM ION | | Authors: | Funahashi, J, Takano, K, Yamagata, Y, Yutani, K. | | Deposit date: | 1998-05-04 | | Release date: | 1998-07-15 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Contribution of amino acid substitutions at two different interior positions to the conformational stability of human lysozyme
Protein Eng., 12, 1999
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7MFP
 | | crystal structure of the L136 aminotransferase K185A from acanthamoeba polyphaga mimivirus in the presence of the UDP-viosamine external aldimine | | Descriptor: | (2R,3R,4S,5S,6R)-3,4-dihydroxy-5-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-methyloxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Seltzner, C.A, Thoden, J.B, Holden, H.M. | | Deposit date: | 2021-04-10 | | Release date: | 2021-04-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Characterization of an aminotransferase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 30, 2021
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7MFQ
 | | crystal structure of the L136 aminotransferase from acanthamoeba polyphaga mimivirus in complex with the TDP-viosamine external aldimine | | Descriptor: | (2R,3R,4S,5S,6R)-3,4-DIHYDROXY-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)IMINO]-6-METHYLTETRAHYDRO-2H-PYRAN-2-YL [(2R,3S,5R)-3-HYDROXY-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Seltzner, C.A, Thoden, J.B, Holden, H.M. | | Deposit date: | 2021-04-10 | | Release date: | 2021-04-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Characterization of an aminotransferase from Acanthamoeba polyphaga Mimivirus.
Protein Sci., 30, 2021
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8SV0
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7ML9
 | | The Mpp75Aa1.1 beta-pore-forming protein from Brevibacillus laterosporus | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Insecticidal protein, ... | | Authors: | Rydel, T.J, Zheng, M, Evdokimov, A. | | Deposit date: | 2021-04-27 | | Release date: | 2021-05-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Structural and functional characterization of Mpp75Aa1.1, a putative beta-pore forming protein from Brevibacillus laterosporus active against the western corn rootworm.
Plos One, 16, 2021
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7M3Q
 | | Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV) | | Descriptor: | 1,2-ETHANEDIOL, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, ... | | Authors: | Chowdhury, A, Singer, A.U, Ogunjimi, A.A, Teyra, J, Zhang, W, Sicheri, F, Sidhu, S.S. | | Deposit date: | 2021-03-18 | | Release date: | 2021-04-21 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the Smurf2 HECT Domain with a High Affinity Ubiquitin Variant (UbV)
To be published
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7RSJ
 | | Structure of the VPS34 kinase domain with compound 14 | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.881 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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5HVD
 | | Full length Open-form Sodium Channel NavMs I218C | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DODECAETHYLENE GLYCOL, HEGA-10, ... | | Authors: | Sula, A, Booker, J.E, Naylor, C.E, Wallace, B.A. | | Deposit date: | 2016-01-28 | | Release date: | 2017-03-01 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The complete structure of an activated open sodium channel.
Nat Commun, 8, 2017
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2MEE
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7RSV
 | | Structure of the VPS34 kinase domain with compound 5 | | Descriptor: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one, GLYCEROL, Phosphatidylinositol 3-kinase catalytic subunit type 3, ... | | Authors: | Hu, D.X, Patel, S, Chen, H, Wang, S, Staben, S, Dimitrova, Y.N, Wallweber, H.A, Lee, J.Y, Chan, G.K.Y, Sneeringer, C.J, Prangley, M.S, Moffat, J.G, Wu, C, Schutt, L.K, Salphati, L, Pang, J, McNamara, E, Huang, H, Chen, Y, Wang, Y, Zhao, W, Lim, J, Murthy, A, Siu, M. | | Deposit date: | 2021-08-11 | | Release date: | 2021-11-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Structure-Based Design of Potent, Selective, and Orally Bioavailable VPS34 Kinase Inhibitors.
J.Med.Chem., 65, 2022
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4FVK
 | | Structural and functional characterization of neuraminidase-like molecule N10 derived from bat influenza A virus | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Li, Q, Sun, X.M, Li, Z.X, Liu, Y, Vavricka, C.J, Qi, J.X, Gao, G.F. | | Deposit date: | 2012-06-29 | | Release date: | 2012-09-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.198 Å) | | Cite: | Structural and functional characterization of neuraminidase-like molecule N10 derived from bat influenza A virus
Proc.Natl.Acad.Sci.USA, 109, 2012
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