7NHO
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![BU of 7nho by Molmil](/molmil-images/mine/7nho) | Structure of PSII-M | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, ... | Authors: | Zabret, J, Bohn, S, Schuller, S.K, Arnolds, O, Chan, A, Tajkhorshid, E, Stoll, R, Engel, B.D, Rudack, T, Schuller, J.M, Nowaczyk, M.M. | Deposit date: | 2021-02-11 | Release date: | 2021-05-05 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (2.66 Å) | Cite: | Structural insights into photosystem II assembly. Nat.Plants, 7, 2021
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5LWJ
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![BU of 5lwj by Molmil](/molmil-images/mine/5lwj) | Solution NMR structure of the GTP binding Class II RNA aptamer-ligand-complex containing a protonated adenine nucleotide with a highly shifted pKa. | Descriptor: | GTP Class II RNA (34-MER), GUANOSINE-5'-TRIPHOSPHATE | Authors: | Wolter, A.C, Weickhmann, A.K, Nasiri, A.H, Hantke, K, Ohlenschlaeger, O, Wunderlich, C.H, Kreutz, C, Duchardt-Ferner, E, Woehnert, J. | Deposit date: | 2016-09-17 | Release date: | 2016-12-14 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | A Stably Protonated Adenine Nucleotide with a Highly Shifted pKa Value Stabilizes the Tertiary Structure of a GTP-Binding RNA Aptamer. Angew. Chem. Int. Ed. Engl., 56, 2017
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6O9X
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![BU of 6o9x by Molmil](/molmil-images/mine/6o9x) | Structure of human PARG complexed with JA2-4 | Descriptor: | 1,3-dimethyl-8-{[2-(pyrrolidin-1-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,9-tetrahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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7PKO
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![BU of 7pko by Molmil](/molmil-images/mine/7pko) | CryoEM structure of Rotavirus NSP2 | Descriptor: | Non-structural protein 2 | Authors: | Bravo, J.P.K, Borodavka, A. | Deposit date: | 2021-08-26 | Release date: | 2021-09-29 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural basis of rotavirus RNA chaperone displacement and RNA annealing. Proc.Natl.Acad.Sci.USA, 118, 2021
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6OA1
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![BU of 6oa1 by Molmil](/molmil-images/mine/6oa1) | Structure of human PARG complexed with JA2120 | Descriptor: | 1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione, Poly(ADP-ribose) glycohydrolase | Authors: | Stegeman, R.A, Jones, D.E, Ellenberger, T, Kim, I.K, Tainer, J.A. | Deposit date: | 2019-03-15 | Release date: | 2019-12-25 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death. Nat Commun, 10, 2019
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6M8Y
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![BU of 6m8y by Molmil](/molmil-images/mine/6m8y) | PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR AIPF | Descriptor: | AIPF PEPTIDE INHIBITOR, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | Deposit date: | 2018-08-22 | Release date: | 2018-10-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase Biochemistry, 40, 2001
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7ADI
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![BU of 7adi by Molmil](/molmil-images/mine/7adi) | KirBac3.1 W46R: role of a highly conserved tryptophan at the membrane-water interface of Kir channel | Descriptor: | Inward rectifier potassium channel Kirbac3.1, MAGNESIUM ION, POTASSIUM ION | Authors: | Venien-Bryan, C, Fagnen, C, De Zorzi, R, Bannwarth, L, Oubella, I, Haouz, A. | Deposit date: | 2020-09-15 | Release date: | 2022-01-12 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Integrative Study of the Structural and Dynamical Properties of a KirBac3.1 Mutant: Functional Implication of a Highly Conserved Tryptophan in the Transmembrane Domain. Int J Mol Sci, 23, 2021
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6OPU
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![BU of 6opu by Molmil](/molmil-images/mine/6opu) | HIV-1 Protease NL4-3 K45I, M46I, V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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6OPY
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![BU of 6opy by Molmil](/molmil-images/mine/6opy) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, A71V, L76V, V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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7PKP
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![BU of 7pkp by Molmil](/molmil-images/mine/7pkp) | NSP2 RNP complex | Descriptor: | Non-structural protein 2 | Authors: | Bravo, J.P.K, Borodavka, A. | Deposit date: | 2021-08-26 | Release date: | 2021-09-29 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of rotavirus RNA chaperone displacement and RNA annealing. Proc.Natl.Acad.Sci.USA, 118, 2021
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8DWR
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![BU of 8dwr by Molmil](/molmil-images/mine/8dwr) | Crystal structure of the L333V variant of catalase-peroxidase from Mycobacterium tuberculosis | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Catalase-peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Diaz-Vilchis, A, Uribe-Vazquez, B, Avila-Linares, A, Rudino-Pinera, E, Soberon, X. | Deposit date: | 2022-08-01 | Release date: | 2023-08-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Characterization of a catalase-peroxidase variant (L333V-KatG) identified in an INH-resistant Mycobacterium tuberculosis clinical isolate. Biochem Biophys Rep, 37, 2024
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6OCK
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![BU of 6ock by Molmil](/molmil-images/mine/6ock) | Crystal Structure of Leporine Serum Albumin in Complex with Ketoprofen | Descriptor: | (20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL, (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol, (2S)-2-[3-(benzenecarbonyl)phenyl]propanoic acid, ... | Authors: | Zielinski, K, Sekula, B, Bujacz, A, Bujacz, G. | Deposit date: | 2019-03-24 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural investigations of stereoselective profen binding by equine and leporine serum albumins. Chirality, 32, 2020
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8BS2
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![BU of 8bs2 by Molmil](/molmil-images/mine/8bs2) | Room-temperature structure of SARS-CoV-2 Main protease at 104 MPa helium gas pressure in a sapphire capillary | Descriptor: | 3C-like proteinase, DIMETHYL SULFOXIDE | Authors: | Lieske, J, Saouane, S, Guenther, S, Reinke, P.Y.A, Rahmani Mashhour, A, Meents, A. | Deposit date: | 2022-11-24 | Release date: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | High-pressure macromolecular crystallography to explore the conformational space of proteins To Be Published
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6M01
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![BU of 6m01 by Molmil](/molmil-images/mine/6m01) | The structure of HitB-HitD complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, N-[2-(acetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | Authors: | Miyanaga, A, Kurihara, S, Kudo, F, Eguchi, T. | Deposit date: | 2020-02-19 | Release date: | 2020-07-08 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Characterization of Complex of Adenylation Domain and Carrier Protein by Using Pantetheine Cross-Linking Probe. Acs Chem.Biol., 15, 2020
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7ACY
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![BU of 7acy by Molmil](/molmil-images/mine/7acy) | |
7ACZ
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![BU of 7acz by Molmil](/molmil-images/mine/7acz) | |
7ACV
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![BU of 7acv by Molmil](/molmil-images/mine/7acv) | |
7ACW
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![BU of 7acw by Molmil](/molmil-images/mine/7acw) | |
6M8W
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![BU of 6m8w by Molmil](/molmil-images/mine/6m8w) | PSEUDOMONAS SERINE-CARBOXYL PROTEINASE (SEDOLISIN) COMPLEXED WITH THE INHIBITOR AIAF | Descriptor: | AIAF PEPTIDE INHIBITOR, CALCIUM ION, CHLORIDE ION, ... | Authors: | Wlodawer, A, Li, M, Gustchina, A, Dauter, Z, Uchida, K, Oyama, H, Goldfarb, N.E, Dunn, B.M, Oda, K. | Deposit date: | 2018-08-22 | Release date: | 2018-10-24 | Last modified: | 2019-12-04 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Inhibitor complexes of the Pseudomonas serine-carboxyl proteinase Biochemistry, 40, 2001
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5LL6
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![BU of 5ll6 by Molmil](/molmil-images/mine/5ll6) | Structure of the 40S ABCE1 post-splitting complex in ribosome recycling and translation initiation | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Heuer, A, Gerovac, M, Schmidt, C, Trowitzsch, S, Preis, A, Koetter, P, Berninghausen, O, Becker, T, Beckmann, R, Tampe, R. | Deposit date: | 2016-07-26 | Release date: | 2017-04-12 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure of the 40S-ABCE1 post-splitting complex in ribosome recycling and translation initiation. Nat. Struct. Mol. Biol., 24, 2017
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6U5D
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![BU of 6u5d by Molmil](/molmil-images/mine/6u5d) | RT XFEL structure of CypA solved using LCP injection system | Descriptor: | Peptidyl-prolyl cis-trans isomerase A | Authors: | Wolff, A.M, Young, I.D, Sierra, R.G, Brewster, A.S, Koralek, J.D, Boutet, S, Sauter, N.K, Fraser, J.S, Thompson, M.C. | Deposit date: | 2019-08-27 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Comparing serial X-ray crystallography and microcrystal electron diffraction (MicroED) as methods for routine structure determination from small macromolecular crystals Iucrj, 7, 2020
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8E1O
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![BU of 8e1o by Molmil](/molmil-images/mine/8e1o) | Crystal structure of hTEAD2 bound to a methoxypyridine lipid pocket binder | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5-methoxy-N-({3-[2-(methylamino)-2-oxoethyl]phenyl}methyl)-4-{(E)-2-[trans-4-(trifluoromethyl)cyclohexyl]ethenyl}pyridine-2-carboxamide, Transcriptional enhancer factor TEF-4 | Authors: | Noland, C.L, Dey, A, Zbieg, J, Crawford, J. | Deposit date: | 2022-08-10 | Release date: | 2023-08-16 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Targeting the Hippo pathway in cancers via ubiquitination dependent TEAD degradation Biorxiv, 2024
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6OE4
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![BU of 6oe4 by Molmil](/molmil-images/mine/6oe4) | |
8DZZ
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![BU of 8dzz by Molmil](/molmil-images/mine/8dzz) | Cryo-EM structure of chi dynein bound to Lis1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ... | Authors: | Reimer, J.M, Lahiri, I, Leschziner, A.E. | Deposit date: | 2022-08-08 | Release date: | 2023-08-30 | Last modified: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Lis1 relieves cytoplasmic dynein-1 autoinhibition by acting as a molecular wedge. Nat.Struct.Mol.Biol., 30, 2023
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6MB3
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![BU of 6mb3 by Molmil](/molmil-images/mine/6mb3) | |