4Y84
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![BU of 4y84 by Molmil](/molmil-images/mine/4y84) | Yeast 20S proteasome in complex with N3-A(4,4-F2P)nLL-ep | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2015-02-16 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Systematic Analyses of Substrate Preferences of 20S Proteasomes Using Peptidic Epoxyketone Inhibitors. J.Am.Chem.Soc., 137, 2015
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7SVV
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![BU of 7svv by Molmil](/molmil-images/mine/7svv) | TnsBctd-TnsC complex | Descriptor: | DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), MAGNESIUM ION, ... | Authors: | Park, J, Tsai, A.W.T, Kellogg, E.H. | Deposit date: | 2021-11-19 | Release date: | 2022-08-10 | Last modified: | 2024-02-28 | Method: | ELECTRON MICROSCOPY (3.54 Å) | Cite: | Mechanistic details of CRISPR-associated transposon recruitment and integration revealed by cryo-EM. Proc.Natl.Acad.Sci.USA, 119, 2022
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6YSA
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![BU of 6ysa by Molmil](/molmil-images/mine/6ysa) | Crystal structure of Arabidopsis thaliana legumain isoform beta in zymogen state | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, SULFATE ION, ... | Authors: | Dall, E, Zauner, F.B, Brandstetter, H. | Deposit date: | 2020-04-21 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural and functional studies ofArabidopsis thalianalegumain beta reveal isoform specific mechanisms of activation and substrate recognition. J.Biol.Chem., 295, 2020
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6YCC
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![BU of 6ycc by Molmil](/molmil-images/mine/6ycc) | Structure the ananain protease from Ananas comosus covalently bound to the E64 inhibitor | Descriptor: | Ananain, GLYCEROL, N-[N-[1-HYDROXYCARBOXYETHYL-CARBONYL]LEUCYLAMINO-BUTYL]-GUANIDINE, ... | Authors: | Azarkan, M, Charlier, P, Herman, R, Delbrassine, F, Sauvage, E, M Rabet, N, Calvo Esposito, R, Kerff, F. | Deposit date: | 2020-03-18 | Release date: | 2020-11-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structures of the free and inhibitors-bound forms of bromelain and ananain from Ananas comosus stem and in vitro study of their cytotoxicity. Sci Rep, 10, 2020
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6VGK
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![BU of 6vgk by Molmil](/molmil-images/mine/6vgk) | ClpP1P2 complex from M. tuberculosis | Descriptor: | ATP-dependent Clp protease proteolytic subunit 1, ATP-dependent Clp protease proteolytic subunit 2 | Authors: | Ripstein, Z.A, Vahidi, S, Rubinstein, J.L, Kay, L.E. | Deposit date: | 2020-01-08 | Release date: | 2020-03-18 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | An allosteric switch regulatesMycobacterium tuberculosisClpP1P2 protease function as established by cryo-EM and methyl-TROSY NMR. Proc.Natl.Acad.Sci.USA, 117, 2020
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1U8B
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![BU of 1u8b by Molmil](/molmil-images/mine/1u8b) | Crystal structure of the methylated N-ADA/DNA complex | Descriptor: | 5'-D(*AP*AP*TP*CP*TP*TP*GP*CP*GP*CP*TP*TP*T)-3', 5'-D(*TP*AP*AP*AP*TP*T)-3', 5'-D(P*AP*AP*AP*GP*CP*GP*CP*AP*AP*GP*AP*T)-3', ... | Authors: | He, C, Hus, J.-C, Sun, L.J, Zhou, P, Norman, D.P.G, Dotsch, V, Gross, J.D, Lane, W.S, Wagner, G, Verdine, G.L. | Deposit date: | 2004-08-05 | Release date: | 2005-10-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A methylation-dependent electrostatic switch controls DNA repair and transcriptional activation by E. coli ada. Mol.Cell, 20, 2005
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6SSP
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![BU of 6ssp by Molmil](/molmil-images/mine/6ssp) | Structure of the pentameric ligand-gated ion channel ELIC in complex with a NAM nanobody | Descriptor: | CALCIUM ION, Cys-loop ligand-gated ion channel, NANOBODY 21, ... | Authors: | Ulens, C, Brams, M, Evans, G.L, Spurny, R, Govaerts, C, Pardon, E, Steyaert, J. | Deposit date: | 2019-09-09 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.25 Å) | Cite: | Modulation of the Erwinia ligand-gated ion channel (ELIC) and the 5-HT 3 receptor via a common vestibule site. Elife, 9, 2020
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7QPJ
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![BU of 7qpj by Molmil](/molmil-images/mine/7qpj) | Crystal structure of engineered TCR (756) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ... | Authors: | Simister, P.C, Border, E.C, Vieira, J.F, Pumphrey, N.J. | Deposit date: | 2022-01-04 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structural insights into engineering a T-cell receptor targeting MAGE-A10 with higher affinity and specificity for cancer immunotherapy. J Immunother Cancer, 10, 2022
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1W0J
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![BU of 1w0j by Molmil](/molmil-images/mine/1w0j) | Beryllium fluoride inhibited bovine F1-ATPase | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE ALPHA CHAIN HEART ISOFORM, MITOCHONDRIAL PRECURSOR, ... | Authors: | Kagawa, R, Montgomery, M.G, Braig, K, Walker, J.E, Leslie, A.G.W. | Deposit date: | 2004-06-08 | Release date: | 2004-07-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Structure of Bovine F1-ATPase Inhibited by Adp and Beryllium Fluoride Embo J., 23, 2004
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6MG5
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![BU of 6mg5 by Molmil](/molmil-images/mine/6mg5) | Structure of full-length human lambda-6A light chain JTO in complex with coumarin 1 | Descriptor: | 7-(diethylamino)-4-methyl-2H-1-benzopyran-2-one, Light chain JTO, PHOSPHATE ION | Authors: | Morgan, G.J, Yan, N.L, Mortenson, D.E, Stanfield, R.L, Wilson, I.A, Kelly, J.W. | Deposit date: | 2018-09-12 | Release date: | 2019-04-10 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Stabilization of amyloidogenic immunoglobulin light chains by small molecules. Proc.Natl.Acad.Sci.USA, 116, 2019
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6HUV
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![BU of 6huv by Molmil](/molmil-images/mine/6huv) | Yeast 20S proteasome with human beta2c (S171G) in complex with 39 | Descriptor: | (2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-09 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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7OBO
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![BU of 7obo by Molmil](/molmil-images/mine/7obo) | GSTF1 from Alopecurus myosuroides | Descriptor: | (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-3-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid, Glutathione transferase | Authors: | Pohl, E, Eno, R.F.M, Freitag-Pohl, S. | Deposit date: | 2021-04-23 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance. Org.Biomol.Chem., 19, 2021
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7ODM
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![BU of 7odm by Molmil](/molmil-images/mine/7odm) | AmGSTF1 Y118S variant | Descriptor: | Glutathione transferase, [(2~{S})-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]azanium | Authors: | Pohl, E, Eno, R.F.M. | Deposit date: | 2021-04-30 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Flavonoid-based inhibitors of the Phi-class glutathione transferase from black-grass to combat multiple herbicide resistance. Org.Biomol.Chem., 19, 2021
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6PSU
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![BU of 6psu by Molmil](/molmil-images/mine/6psu) | Escherichia coli RNA polymerase promoter unwinding intermediate (TRPi2) with TraR and rpsT P2 promoter | Descriptor: | CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | Deposit date: | 2019-07-13 | Release date: | 2020-03-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Stepwise Promoter Melting by Bacterial RNA Polymerase. Mol.Cell, 78, 2020
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6HV7
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![BU of 6hv7 by Molmil](/molmil-images/mine/6hv7) | |
6HW8
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![BU of 6hw8 by Molmil](/molmil-images/mine/6hw8) | Yeast 20S proteasome in complex with 39 | Descriptor: | (2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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6V1D
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![BU of 6v1d by Molmil](/molmil-images/mine/6v1d) | Crystal structure of human trefoil factor 1 | Descriptor: | Trefoil factor 1 | Authors: | Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D. | Deposit date: | 2019-11-20 | Release date: | 2019-12-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Trefoil factors share a lectin activity that defines their role in mucus. Nat Commun, 11, 2020
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6Q0W
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![BU of 6q0w by Molmil](/molmil-images/mine/6q0w) | Structure of DDB1-DDA1-DCAF15 complex bound to Indisulam and RBM39 | Descriptor: | DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, DNA damage-binding protein 1, ... | Authors: | Faust, T, Yoon, H, Nowak, R.P, Donovan, K.A, Li, Z, Cai, Q, Eleuteri, N.A, Zhang, T, Gray, N.S, Fischer, E.S. | Deposit date: | 2019-08-02 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural complementarity facilitates E7820-mediated degradation of RBM39 by DCAF15. Nat.Chem.Biol., 16, 2020
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2OYQ
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![BU of 2oyq by Molmil](/molmil-images/mine/2oyq) | Crystal structure of RB69 gp43 in complex with DNA with 5-NIMP opposite an abasic site analog | Descriptor: | 1-{2-DEOXY-5-O-[(R)-HYDROXY{[(R)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}PHOSPHORYL]-BETA-D-ERYTHRO-PENTOFURANOSYL}-5-NITRO -1H-INDOLE, DNA polymerase, MAGNESIUM ION, ... | Authors: | Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S. | Deposit date: | 2007-02-22 | Release date: | 2007-10-23 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Caught bending the a-rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide. Biochemistry, 46, 2007
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6F39
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![BU of 6f39 by Molmil](/molmil-images/mine/6f39) | C1r homodimer CUB1-EGF-CUB2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C1r subcomponent, ... | Authors: | Almitairi, J.O.M, Venkatraman Girija, U, Furze, C.M, Simpson-Gray, X, Badakshi, F, Marshall, J.E, Mitchell, D.A, Moody, P.C.E, Wallis, R. | Deposit date: | 2017-11-28 | Release date: | 2018-01-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (5.801 Å) | Cite: | Structure of the C1r-C1s interaction of the C1 complex of complement activation. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6HTB
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![BU of 6htb by Molmil](/molmil-images/mine/6htb) | Yeast 20S proteasome with human beta2c (S171G) | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-03 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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6PSR
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![BU of 6psr by Molmil](/molmil-images/mine/6psr) | Escherichia coli RNA polymerase promoter unwinding intermediate (TRPi1) with TraR and rpsT P2 promoter | Descriptor: | CHAPSO, DNA (85-MER), DNA-directed RNA polymerase subunit alpha, ... | Authors: | Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A. | Deposit date: | 2019-07-13 | Release date: | 2020-03-25 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Stepwise Promoter Melting by Bacterial RNA Polymerase. Mol.Cell, 78, 2020
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6F6N
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![BU of 6f6n by Molmil](/molmil-images/mine/6f6n) | CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH SERTRALINE | Descriptor: | (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ren, J, Zhao, Y, Fry, E.E, Stuart, D.I. | Deposit date: | 2017-12-05 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Target Identification and Mode of Action of Four Chemically Divergent Drugs against Ebolavirus Infection. J. Med. Chem., 61, 2018
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6HUQ
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![BU of 6huq by Molmil](/molmil-images/mine/6huq) | |
6HVX
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![BU of 6hvx by Molmil](/molmil-images/mine/6hvx) | Yeast 20S proteasome in complex with 4 | Descriptor: | (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
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