7R7P
| Immature HIV-1 CACTD-SP1 lattice with Bevirimat (BVM) and Inositol hexakisphosphate (IP6) | Descriptor: | 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE | Authors: | Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T. | Deposit date: | 2021-06-25 | Release date: | 2023-02-15 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | Structural basis of HIV-1 maturation inhibitor binding and activity. Nat Commun, 14, 2023
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7R3K
| Chlamydomonas reinhardtii TSP9 mutant small Photosystem I complex | Descriptor: | (1~{S})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{S})-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, (3R)-beta,beta-caroten-3-ol, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ... | Authors: | Klaiman, D, Schwartz, T, Nelson, N. | Deposit date: | 2022-02-07 | Release date: | 2023-02-22 | Last modified: | 2023-04-12 | Method: | ELECTRON MICROSCOPY (2.52 Å) | Cite: | Structure of Photosystem I Supercomplex Isolated from a Chlamydomonas reinhardtii Cytochrome b6f Temperature-Sensitive Mutant. Biomolecules, 13, 2023
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6IX9
| The structure of LepI C52A in complex with SAM and leporin C | Descriptor: | (6R,6aS,10S,10aR)-10-methyl-4-phenyl-6-[(1E)-prop-1-en-1-yl]-2,6,6a,7,8,9,10,10a-octahydro-1H-[2]benzopyrano[4,3-c]pyridin-1-one, CHLORIDE ION, GLYCEROL, ... | Authors: | Cai, Y, Ohashi, M, Hai, Y, Tang, Y, Zhou, J. | Deposit date: | 2018-12-09 | Release date: | 2019-07-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.776 Å) | Cite: | Structural basis for stereoselective dehydration and hydrogen-bonding catalysis by the SAM-dependent pericyclase LepI. Nat.Chem., 11, 2019
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7B92
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7B91
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7SIU
| Crystal structure of HPK1 (MAP4K1) complex with inhibitor A-745 | Descriptor: | 6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide, Mitogen-activated protein kinase kinase kinase kinase 1, SULFATE ION | Authors: | Longenecker, K.L, Korepanova, A, Qiu, W. | Deposit date: | 2021-10-14 | Release date: | 2022-03-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.786 Å) | Cite: | The HPK1 Inhibitor A-745 Verifies the Potential of Modulating T Cell Kinase Signaling for Immunotherapy. Acs Chem.Biol., 17, 2022
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7EEB
| Structure of the CatSpermasome | Descriptor: | (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 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, J.P, Ke, M. | Deposit date: | 2021-03-18 | Release date: | 2021-07-28 | Last modified: | 2021-08-11 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structure of a mammalian sperm cation channel complex. Nature, 595, 2021
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7E27
| Structure of PfFNT in complex with MMV007839 | Descriptor: | (Z)-4,4,5,5,5-pentakis(fluoranyl)-1-(4-methoxy-2-oxidanyl-phenyl)-3-oxidanyl-pent-2-en-1-one, Formate-nitrite transporter | Authors: | Yan, C.Y, Jiang, X, Deng, D, Peng, X, Wang, N, Zhu, A, Xu, H, Li, J. | Deposit date: | 2021-02-04 | Release date: | 2021-08-18 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (2.29 Å) | Cite: | Structural characterization of the Plasmodium falciparum lactate transporter PfFNT alone and in complex with antimalarial compound MMV007839 reveals its inhibition mechanism. Plos Biol., 19, 2021
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7DVK
| PyrI4 in complex with intermolecular Diels-Alder product | Descriptor: | GLYCEROL, Spiro-conjugate synthase, methyl 4-[[(1S,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate | Authors: | Kashyap, R, Addlagatta, A. | Deposit date: | 2021-01-13 | Release date: | 2021-08-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Exo-selective intermolecular Diels-Alder reaction by PyrI4 and AbnU on non-natural substrates. Commun Chem, 2021
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4Y9B
| Crystal structure of V30M mutated transthyretin in complex with alpha-mangostin | Descriptor: | 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, CALCIUM ION, CHLORIDE ION, ... | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-02-17 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor Sci Rep, 5, 2015
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4Y9F
| Crystal structure of V30M mutated transthyretin with bromide in complex with gamma-mangostin | Descriptor: | 1,3,6,7-tetrahydroxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, BROMIDE ION, Transthyretin | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-02-17 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor Sci Rep, 5, 2015
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7DAF
| IXA in complex with tubulin | Descriptor: | (1~{S},3~{S},7~{S},10~{R},11~{S},12~{S},16~{R})-8,8,10,12,16-pentamethyl-3-[(~{E})-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-7,11-bis(oxidanyl)-17-oxa-4-azabicyclo[14.1.0]heptadecane-5,9-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ... | Authors: | Wu, C, Wang, Y. | Deposit date: | 2020-10-16 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | High-resolution X-ray structure of three microtubule-stabilizing agents in complex with tubulin provide a rationale for drug design. Biochem.Biophys.Res.Commun., 534, 2021
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4Y4H
| Crystal structure of the mCD1d/GCK152/iNKTCR ternary complex | Descriptor: | (1R)-1,5-anhydro-1-{(1E,3S,4S,5R)-4,5-dihydroxy-3-[(8-phenyloctanoyl)amino]nonadec-1-en-1-yl}-D-galactitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Yu, E.D. | Deposit date: | 2015-02-10 | Release date: | 2015-05-27 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells To Be Published
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4Y9C
| Crystal structure of V30M mutated transthyretin with bromide in complex with alpha-mangostin | Descriptor: | 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one, BROMIDE ION, Transthyretin | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-02-17 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor Sci Rep, 5, 2015
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4Y9G
| Crystal structure of V30M mutated transthyretin in complex with 3-isomangostin | Descriptor: | 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, Transthyretin | Authors: | Yokoyama, T, Mizuguchi, M. | Deposit date: | 2015-02-17 | Release date: | 2015-09-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | Discovery of gamma-Mangostin as an Amyloidogenesis Inhibitor Sci Rep, 5, 2015
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5AGZ
| Disubstituted bis-THF moieties as new P2 ligands in non-peptidal HIV- 1 Protease Inhibitors (II) | Descriptor: | (3R,3aS,4R,6aR)-4-[(2-fluoroprop-2-en-1-yl)oxy]hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[2-(methylamino)-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, PROTEASE | Authors: | Hohlfeld, K, Wegner, J.K, Kesteleyn, B, Linclau, B, Unge, J. | Deposit date: | 2015-02-04 | Release date: | 2015-05-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Disubstituted Bis-Thf Moieties as New P2 Ligands in Non-Peptidal HIV-1 Protease Inhibitors (II). J.Med.Chem., 58, 2015
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4YFK
| Escherichia coli RNA polymerase in complex with squaramide compound 8. | Descriptor: | 3,5-dimethyl-N-{2-[4-(4-methylbenzyl)piperidin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}-1,2-oxazole-4-sulfonamide, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Molodtsov, V, Fleming, P.R, Eyermann, C.J, Ferguson, A.D, Foulk, M.A, McKinney, D.C, Masse, C.E, Buurman, E.T, Murakami, K.S. | Deposit date: | 2015-02-25 | Release date: | 2015-03-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.571 Å) | Cite: | X-ray Crystal Structures of Escherichia coli RNA Polymerase with Switch Region Binding Inhibitors Enable Rational Design of Squaramides with an Improved Fraction Unbound to Human Plasma Protein. J.Med.Chem., 58, 2015
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6KJZ
| Crystal structure of PDE4D catalytic domain complexed with compound 1 | Descriptor: | 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one, MAGNESIUM ION, ZINC ION, ... | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | Deposit date: | 2019-07-23 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.200001 Å) | Cite: | Discovery and Optimization of alpha-Mangostin Derivatives as Novel PDE4 Inhibitors for the Treatment of Vascular Dementia. J.Med.Chem., 63, 2020
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6KLI
| Crystal Structure of the Zea Mays laccase 3 complexed with sinapyl | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol, ... | Authors: | Xie, T, Liu, Z.C, Wang, G.G. | Deposit date: | 2019-07-30 | Release date: | 2020-01-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for monolignol oxidation by a maize laccase. Nat.Plants, 6, 2020
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6M7J
| Mycobacterium tuberculosis RNAP with RbpA/us fork and Corallopyronin | Descriptor: | DNA (26-MER), DNA (31-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Darst, S.A, Campbell, E.A, Boyaci Selcuk, H, Chen, J. | Deposit date: | 2018-08-20 | Release date: | 2018-11-21 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | Structures of an RNA polymerase promoter melting intermediate elucidate DNA unwinding. Nature, 565, 2019
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7B2P
| Cryo-EM structure of complement C4b in complex with nanobody B5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4 alpha chain, ... | Authors: | Oosterheert, W, De la O Becerra, K.I, Gros, P. | Deposit date: | 2020-11-27 | Release date: | 2022-03-02 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Multifaceted Activities of Seven Nanobodies against Complement C4b. J Immunol., 208, 2022
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7B2Q
| Cryo-EM structure of complement C4b in complex with nanobody B12 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-C4b nanobody B12, ... | Authors: | Oosterheert, W, De la O Becerra, K.I, Gros, P. | Deposit date: | 2020-11-27 | Release date: | 2022-03-02 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.76 Å) | Cite: | Multifaceted Activities of Seven Nanobodies against Complement C4b. J Immunol., 208, 2022
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7B2M
| Cryo-EM structure of complement C4b in complex with nanobody E3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Anti-C4b nanobody E3, Complement C4 alpha chain, ... | Authors: | Oosterheert, W, De la O Becerra, K.I, van den Bos, R.M, Gros, P. | Deposit date: | 2020-11-27 | Release date: | 2022-03-02 | Last modified: | 2022-05-04 | Method: | ELECTRON MICROSCOPY (3.39 Å) | Cite: | Multifaceted Activities of Seven Nanobodies against Complement C4b. J Immunol., 208, 2022
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7EBA
| Co-crystal of kurarinone with sEH | Descriptor: | (2S)-2-[2,4-bis(oxidanyl)phenyl]-5-methoxy-8-[(2R)-5-methyl-2-prop-1-en-2-yl-hex-4-enyl]-7-oxidanyl-2,3-dihydrochromen-4-one, Bifunctional epoxide hydrolase 2 | Authors: | Sun, C.P, Ma, X.C. | Deposit date: | 2021-03-09 | Release date: | 2022-03-09 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Kurarinone alleviated Parkinson's disease via stabilization of epoxyeicosatrienoic acids in animal model. Proc.Natl.Acad.Sci.USA, 119, 2022
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6LSV
| Crystal structure of JOX2 in complex with 2OG, Fe, and JA | Descriptor: | 2-OXOGLUTARIC ACID, FE (III) ION, Probable 2-oxoglutarate-dependent dioxygenase At5g05600, ... | Authors: | Zhang, X, Wang, D, Liu, J. | Deposit date: | 2020-01-20 | Release date: | 2021-02-10 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.651 Å) | Cite: | Structure-guided analysis of Arabidopsis JASMONATE-INDUCED OXYGENASE (JOX) 2 reveals key residues for recognition of jasmonic acid substrate by plant JOXs. Mol Plant, 14, 2021
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