7RAD
 
 | | Crystal Structure Analysis of ALDH1B1 | | Descriptor: | 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine, Aldehyde dehydrogenase X, ... | | Authors: | Fernandez, D, Chen, J.K. | | Deposit date: | 2021-07-01 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Inhibitors targeted to aldehyde dehydrogenase
Nat.Chem.Biol., 2022
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1KYN
 | | Cathepsin-G | | Descriptor: | (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID, cathepsin G | | Authors: | Greco, M.N, Hawkins, M.J, Powell, E.T, Almond Jr, H.R, Corcoran, T.W, De Garavilla, L, Kauffman, J.A, Recacha, R, Chattopadhyay, D, Andrade-Gordon, P, Maryanoff, B.E. | | Deposit date: | 2002-02-05 | | Release date: | 2002-05-01 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Nonpeptide inhibitors of cathepsin G: optimization of a novel beta-ketophosphonic acid lead by structure-based drug design.
J.Am.Chem.Soc., 124, 2002
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6JEE
 | | Crystal structure of apo-L161C/L165C-Fr | | Descriptor: | 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ... | | Authors: | Abe, S, Ito, N, Maity, B, Lu, C, Lu, D, Ueno, T. | | Deposit date: | 2019-02-05 | | Release date: | 2019-12-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Coordination design of cadmium ions at the 4-fold axis channel of the apo-ferritin cage.
Dalton Trans, 48, 2019
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1L2M
 | | Minimized Average Structure of the N-terminal, DNA-binding domain of the replication initiation protein from a geminivirus (Tomato yellow leaf curl virus-Sardinia) | | Descriptor: | Rep protein | | Authors: | Campos-Olivas, R, Louis, J.M, Clerot, D, Gronenborn, B, Gronenborn, A.M. | | Deposit date: | 2002-02-22 | | Release date: | 2002-09-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The structure of a replication initiator unites diverse aspects of nucleic acid metabolism
Proc.Natl.Acad.Sci.USA, 99, 2002
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6J39
 | | Crystal structure of CmiS2 with inhibitor | | Descriptor: | (3R)-3-[(carboxymethyl)sulfanyl]nonanoic acid, FAD-dependent glycine oxydase, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Kawasaki, D, Chisuga, T, Miyanaga, A, Kudo, F, Eguchi, T. | | Deposit date: | 2019-01-04 | | Release date: | 2019-06-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural Analysis of the Glycine Oxidase Homologue CmiS2 Reveals a Unique Substrate Recognition Mechanism for Formation of a beta-Amino Acid Starter Unit in Cremimycin Biosynthesis.
Biochemistry, 58, 2019
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1L0A
 | | DOWNSTREAM REGULATOR TANK BINDS TO THE CD40 RECOGNITION SITE ON TRAF3 | | Descriptor: | TNF receptor associated factor 3, TRAF family member-associated NF-kappa-b activator | | Authors: | Li, C, Ni, C.-Z, Havert, M.L, Cabezas, E, He, J, Kaiser, D, Reed, J.C, Satterthwait, A.C, Cheng, G, Ely, K.R. | | Deposit date: | 2002-02-08 | | Release date: | 2002-04-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Downstream regulator TANK binds to the CD40 recognition site on TRAF3.
Structure, 10, 2002
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8EV1
 | | Dual Modulators | | Descriptor: | (3aR,4S,9bS)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3aS,4R,9bR)-4-(4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, Estrogen Receptor, ... | | Authors: | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | | Deposit date: | 2022-10-19 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
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8EG3
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6JSE
 | | Crystal Structure of BACE1 in complex with N-(3-((4S,5R)-2-amino-4-methyl-5-phenyl-5,6-dihydro-4H-1,3-thiazin-4-yl)-4-fluorophenyl)-5-(fluoromethoxy)pyrazine-2-carboxamide | | Descriptor: | Beta-secretase 1, DIMETHYL SULFOXIDE, IODIDE ION, ... | | Authors: | Fujimoto, K, Matsuoka, E, Asada, N, Tadano, G, Yamamoto, T, Nakahara, K, Fuchino, K, Ito, H, Kanegawa, N, Moechars, D, Gijsen, H.J.M, Kusakabe, K.I. | | Deposit date: | 2019-04-08 | | Release date: | 2019-08-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design of Selective beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors: Targeting the Flap to Gain Selectivity over BACE2.
J.Med.Chem., 62, 2019
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8EV2
 | | Dual Modulators | | Descriptor: | (3aS,4R,9bR)-4-(2-chloro-4-hydroxyphenyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[c]quinoline-8-sulfonamide, (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide, Estrogen receptor, ... | | Authors: | Tinivella, A, Nwachukwu, J.C, Angeli, A, Foschi, F, Benatti, A.L, Pinzi, L, Izard, T, Ferraroni, M, Rangarajan, E.S, Christodoulou, M, Passarella, D, Supuran, C, Nettles, K.W, Rastelli, G. | | Deposit date: | 2022-10-19 | | Release date: | 2022-12-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Design, synthesis, biological evaluation and crystal structure determination of dual modulators of carbonic anhydrases and estrogen receptors.
Eur.J.Med.Chem., 246, 2022
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6JBI
 | | Structure of Tps1 apo structure | | Descriptor: | Trehalose-6-phosphate synthase | | Authors: | Wang, S, Zhao, Y, Yi, L, Wang, D, Liu, J. | | Deposit date: | 2019-01-25 | | Release date: | 2019-12-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of Magnaporthe oryzae trehalose-6-phosphate synthase (MoTps1) suggest a model for catalytic process of Tps1.
Biochem.J., 476, 2019
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6J42
 | | Crystal Structure of Wild Type KatB, a manganese catalase from Anabaena | | Descriptor: | Alr3090 protein, CALCIUM ION, MANGANESE (II) ION, ... | | Authors: | Bihani, S.C, Chakravarty, D, Ballal, A. | | Deposit date: | 2019-01-07 | | Release date: | 2020-01-15 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.492 Å) | | Cite: | Novel molecular insights into the anti-oxidative stress response and structure-function of a salt-inducible cyanobacterial Mn-catalase.
Plant Cell Environ, 42, 2019
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6JD8
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1L7Y
 | | Solution NMR Structure of C. elegans Protein ZK652.3. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET WR41. | | Descriptor: | HYPOTHETICAL PROTEIN ZK652.3 | | Authors: | Cort, J.R, Chiang, Y, Zheng, D, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2002-03-18 | | Release date: | 2002-08-14 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | NMR structure of conserved eukaryotic protein ZK652.3 from C. elegans: a ubiquitin-like fold.
Proteins, 48, 2002
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8EU8
 | | Cryo-EM structure of CH848 10.17DT DS-SOSIP-2P Env | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH848 10.17DT SOSIP Envelope glycoprotein gp160 | | Authors: | Wrapp, D, Acharya, P, Haynes, B.F. | | Deposit date: | 2022-10-18 | | Release date: | 2023-01-04 | | Last modified: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (3.73 Å) | | Cite: | Structure-Based Stabilization of SOSIP Env Enhances Recombinant Ectodomain Durability and Yield.
J.Virol., 97, 2023
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7R9B
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6K0R
 | | Ruvbl1-Ruvbl2 with truncated domain II in complex with phosphorylated Cordycepin | | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Zhang, W, Chen, L, Li, W, Ju, D, Huang, N, Zhang, E. | | Deposit date: | 2019-05-07 | | Release date: | 2020-05-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.502 Å) | | Cite: | Chemical perturbations reveal that RUVBL2 regulates the circadian phase in mammals.
Sci Transl Med, 12, 2020
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8EQ0
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8EQ1
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8EQ3
 | | Escherichia coli pyruvate kinase A301T | | Descriptor: | IMIDAZOLE, MALONATE ION, Pyruvate kinase, ... | | Authors: | Donovan, K.A, Coombes, D, Dobson, R.C.J, Cooper, T.F. | | Deposit date: | 2022-10-07 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Beneficial mutations occurring in E. coli pyruvate kinase afford new allosteric mechanisms leading to faster resumption of growth
To Be Published
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1K3E
 | | Type III secretion chaperone CesT | | Descriptor: | CesT | | Authors: | Luo, Y, Bertero, M, Frey, E.A, Pfuetzner, R.A, Wenk, M.R, Creagh, L, Marcus, S.L, Lim, D, Finlay, B.B, Strynadka, N.C.J. | | Deposit date: | 2001-10-02 | | Release date: | 2001-11-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and biochemical characterization of the type III secretion chaperones CesT and SigE.
Nat.Struct.Biol., 8, 2001
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6K54
 | | Hyperthermophilic GH6 cellobiohydrolase II (HmCel6A) in complex with trisaccharide | | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Baba, S, Takeda, M, Okuma, J, Hirose, Y, Nishimura, A, Takata, M, Oda, K, Shibata, D, Kondo, Y, Kumasaka, T. | | Deposit date: | 2019-05-28 | | Release date: | 2020-06-03 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.905 Å) | | Cite: | Novel hyperthermophilic cellobiohydrolase II isolated from hot spring microbial community
To Be Published
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8DPR
 | | Crystal structure of SARS-CoV-2 main protease in complex with inhibitor TKB-248 | | Descriptor: | 2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide, 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ... | | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | | Deposit date: | 2022-07-16 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Identification of SARS-CoV-2 M pro inhibitors containing P1' 4-fluorobenzothiazole moiety highly active against SARS-CoV-2.
Nat Commun, 14, 2023
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8DTL
 | | Cryo-EM structure of insulin receptor (IR) bound with S597 peptide | | Descriptor: | Insulin mimetic peptide S597, Insulin receptor | | Authors: | Park, J, Li, J, Mayer, J.P, Ball, K.A, Wu, J.Y, Hall, C, Accili, D, Stowell, M.H.B, Bai, X.C, Choi, E. | | Deposit date: | 2022-07-25 | | Release date: | 2022-09-07 | | Last modified: | 2022-10-12 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Activation of the insulin receptor by an insulin mimetic peptide.
Nat Commun, 13, 2022
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8DOY
 | | Crystal structure of SARS-CoV-2 main protease in complex with an inhibitor TKB-198 | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3C-like proteinase nsp5, ... | | Authors: | Bulut, H, Hayashi, H, Tsuji, K, Kuwata, N, Das, D, Tamamura, H, Mitsuya, H. | | Deposit date: | 2022-07-14 | | Release date: | 2022-08-24 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Potent and biostable inhibitors of the main protease of SARS-CoV-2.
Iscience, 25, 2022
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