5ECT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ect by Molmil](/molmil-images/mine/5ect) | Mycobacterium tuberculosis dUTPase G143STOP mutant | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | Authors: | Nagy, G.N, Leveles, I, Harmat, V, Vertessy, G.B. | Deposit date: | 2015-10-20 | Release date: | 2016-11-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural Characterization of Arginine Fingers: Identification of an Arginine Finger for the Pyrophosphatase dUTPases. J. Am. Chem. Soc., 138, 2016
|
|
7P3V
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7p3v by Molmil](/molmil-images/mine/7p3v) | B-Raf V600E structure bound to a new inhibitor | Descriptor: | Serine/threonine-protein kinase B-raf, ~{N}-[3-[5-(2-azanylpyrimidin-4-yl)-2-[(3~{S})-morpholin-3-yl]-1,3-thiazol-4-yl]-2-fluoranyl-phenyl]-2,5-bis(fluoranyl)benzenesulfonamide | Authors: | Schneider, M, Gelin, M, Cohen-Gonsaud, M, Labesse, G. | Deposit date: | 2021-07-08 | Release date: | 2021-11-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-Based and Knowledge-Informed Design of B-Raf Inhibitors Devoid of Deleterious PXR Binding. J.Med.Chem., 65, 2022
|
|
6MDZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6mdz by Molmil](/molmil-images/mine/6mdz) | |
4FRI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4fri by Molmil](/molmil-images/mine/4fri) | Crystal structure of BACE1 in complex with biarylspiro aminooxazoline 6 | Descriptor: | (4R)-4-[3-(2-fluoropyridin-3-yl)phenyl]-4-(4-methoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine, Beta-secretase 1, DIMETHYL SULFOXIDE, ... | Authors: | Whittington, D.A, Long, A.M. | Deposit date: | 2012-06-26 | Release date: | 2012-09-12 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure- and Property-Based Design of Aminooxazoline Xanthenes as Selective, Orally Efficacious, and CNS Penetrable BACE Inhibitors for the Treatment of Alzheimer's Disease. J.Med.Chem., 55, 2012
|
|
7TXL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7txl by Molmil](/molmil-images/mine/7txl) | Crystal structure of EgtU solute binding domain from Streptococcus pneumoniae D39 in complex with L-ergothioneine | Descriptor: | 1,2-ETHANEDIOL, Choline transporter (Glycine betaine transport system permease protein), trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium | Authors: | Zhang, Y, Gonzalez-Gutierrez, G, Giedroc, D.P. | Deposit date: | 2022-02-09 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Discovery and structure of a widespread bacterial ABC transporter specific for ergothioneine. Nat Commun, 13, 2022
|
|
7TXK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7txk by Molmil](/molmil-images/mine/7txk) | Crystal structure of EgtU solute binding domain from Streptococcus pneumoniae D39 in complex with L-ergothioneine | Descriptor: | 1,2-ETHANEDIOL, Choline transporter (Glycine betaine transport system permease protein), SULFATE ION, ... | Authors: | Zhang, Y, Gonzalez-Gutierrez, G, Giedroc, D.P. | Deposit date: | 2022-02-09 | Release date: | 2022-12-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Discovery and structure of a widespread bacterial ABC transporter specific for ergothioneine. Nat Commun, 13, 2022
|
|
7OOL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ool by Molmil](/molmil-images/mine/7ool) | Crystal structure of a Candidatus photodesmus katoptron thioredoxin chimera containing an ancestral loop | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | Gavira, J.A, Ibarra-Molero, B, Gamiz-Arco, G, Risso, V, Sanchez-Ruiz, J.M. | Deposit date: | 2021-05-28 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Combining Ancestral Reconstruction with Folding-Landscape Simulations to Engineer Heterologous Protein Expression. J.Mol.Biol., 433, 2021
|
|
7UPQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7upq by Molmil](/molmil-images/mine/7upq) | |
7U64
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7u64 by Molmil](/molmil-images/mine/7u64) | |
7V0F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7v0f by Molmil](/molmil-images/mine/7v0f) | Structure of 6-carboxy-5,6,7,8-tetrahydropterin synthase paralog QueD2 from Acinetobacter baumannii | Descriptor: | 1,2-ETHANEDIOL, 6-carboxy-5,6,7,8-tetrahydropterin synthase, DI(HYDROXYETHYL)ETHER, ... | Authors: | Jordan, M.R, Gonzalez-Gutierrez, G, Giedroc, D.P. | Deposit date: | 2022-05-10 | Release date: | 2022-12-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Metal retention and replacement in QueD2 protect queuosine-tRNA biosynthesis in metal-starved Acinetobacter baumannii. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7UPO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7upo by Molmil](/molmil-images/mine/7upo) | |
7UPP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7upp by Molmil](/molmil-images/mine/7upp) | |
7TWD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7twd by Molmil](/molmil-images/mine/7twd) | Structure of AAGAB C-terminal dimerization domain | Descriptor: | Alpha- and gamma-adaptin-binding protein p34, PHOSPHATE ION | Authors: | Tian, Y, Yin, Q. | Deposit date: | 2022-02-07 | Release date: | 2023-01-18 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Oligomer-to-monomer transition underlies the chaperone function of AAGAB in AP1/AP2 assembly. Proc.Natl.Acad.Sci.USA, 120, 2023
|
|
7UUI
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7uui by Molmil](/molmil-images/mine/7uui) | Nucleoplasmic pre-60S intermediate of the Nog2 containing post-rotation state from a SPB1 D52A strain | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleolar GTP-binding protein 2, ... | Authors: | Sekulski, K, Cruz, V.E, Weirich, C.S, Erzberger, J.P. | Deposit date: | 2022-04-28 | Release date: | 2023-03-15 | Last modified: | 2024-06-12 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | rRNA methylation by Spb1 regulates the GTPase activity of Nog2 during 60S ribosomal subunit assembly. Nat Commun, 14, 2023
|
|
4LNU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4lnu by Molmil](/molmil-images/mine/4lnu) | Nucleotide-free kinesin motor domain in complex with tubulin and a DARPin | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Designed ankyrin repeat protein (DARPIN) D1, GLYCEROL, ... | Authors: | Cao, L, Gigant, B, Knossow, M. | Deposit date: | 2013-07-12 | Release date: | 2014-12-03 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | The structure of apo-kinesin bound to tubulin links the nucleotide cycle to movement Nat Commun, 5, 2014
|
|
7SP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7sp3 by Molmil](/molmil-images/mine/7sp3) | E. coli RppH bound to Ap4A | Descriptor: | BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, FLUORIDE ION, ... | Authors: | Serganov, A.A, Vasilyev, N, Nuthanakanti, A. | Deposit date: | 2021-11-02 | Release date: | 2022-03-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | A distinct RNA recognition mechanism governs Np 4 decapping by RppH. Proc.Natl.Acad.Sci.USA, 119, 2022
|
|
7AXG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7axg by Molmil](/molmil-images/mine/7axg) | Crystal structure of the hPXR-LBD in complex with tributyltin | Descriptor: | Nuclear receptor subfamily 1 group I member 2, tributylstannanyl | Authors: | Delfosse, V, Huet, T, Blanc, P, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
1THC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1thc by Molmil](/molmil-images/mine/1thc) | CRYSTAL STRUCTURE DETERMINATION AT 2.3A OF HUMAN TRANSTHYRETIN-3',5'-DIBROMO-2',4,4',6-TETRA-HYDROXYAURONE COMPLEX | Descriptor: | 3',5'-DIBROMO-2',4,4',6'-TETRAHYDROXY AURONE, TRANSTHYRETIN | Authors: | Ciszak, E, Cody, V, Luft, J.R. | Deposit date: | 1992-04-20 | Release date: | 1993-07-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure determination at 2.3-A resolution of human transthyretin-3',5'-dibromo-2',4,4',6-tetrahydroxyaurone complex. Proc.Natl.Acad.Sci.USA, 89, 1992
|
|
7SO6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7so6 by Molmil](/molmil-images/mine/7so6) | Crystal Structure of HIV-1 K103N, Y181C mutant Reverse Transcriptase in Complex with 5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)-7-fluoro-2-naphthonitrile (JLJ635), a Non-nucleoside Inhibitor | Descriptor: | 5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-7-fluoronaphthalene-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | Authors: | Bertoletti, N, Frey, K.M, Anderson, K.S, Cisneros Trigo, J.A, Jorgensen, W.L, Chan, A.H. | Deposit date: | 2021-10-29 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Structural Studies and Structure Activity Relationships for Novel Computationally Designed Non-nucleoside Inhibitors and Their Interactions With HIV-1 Reverse Transcriptase. Front Mol Biosci, 9, 2022
|
|
5U0E
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5u0e by Molmil](/molmil-images/mine/5u0e) | Identification of a New Zinc Binding Chemotype by Fragment Screening | Descriptor: | (5R)-5-benzyl-2-sulfanylidene-1,3-thiazolidin-4-one, 1,2-ETHANEDIOL, Carbonic anhydrase 2, ... | Authors: | Peat, T.S, Poulsen, S.A, Ren, B, Dolezal, O, Woods, L.A, Mujumdar, P, Chrysanthopoulos, P.K. | Deposit date: | 2016-11-23 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Identification of a New Zinc Binding Chemotype by Fragment Screening. J. Med. Chem., 60, 2017
|
|
7AX9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ax9 by Molmil](/molmil-images/mine/7ax9) | Crystal structure of the hPXR-LBD in complex with cis-chlordane | Descriptor: | (+)cis-chlordane, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Granell, M, Delfosse, V, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
7AXH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7axh by Molmil](/molmil-images/mine/7axh) | Crystal structure of the hPXR-LBD in complex with alpha-zearalanol | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ISOPROPYL ALCOHOL, Nuclear receptor subfamily 1 group I member 2, ... | Authors: | Huet, T, Delfosse, V, Bourguet, W. | Deposit date: | 2020-11-09 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Mechanistic insights into the synergistic activation of the RXR-PXR heterodimer by endocrine disruptor mixtures. Proc.Natl.Acad.Sci.USA, 118, 2021
|
|
6NJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6njm by Molmil](/molmil-images/mine/6njm) | Architecture and subunit arrangement of native AMPA receptors | Descriptor: | 15F1 Fab heavy chain, 15F1 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gouaux, E, Zhao, Y. | Deposit date: | 2019-01-03 | Release date: | 2019-04-24 | Last modified: | 2021-05-05 | Method: | ELECTRON MICROSCOPY (6.5 Å) | Cite: | Architecture and subunit arrangement of native AMPA receptors elucidated by cryo-EM. Science, 364, 2019
|
|
7TGR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tgr by Molmil](/molmil-images/mine/7tgr) | Structure of SARS-CoV-2 main protease in complex with GC376 | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 1,2-ETHANEDIOL, ... | Authors: | Esler, M.A, Shi, K, Aihara, H, Harris, R.S. | Deposit date: | 2022-01-09 | Release date: | 2022-05-04 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Gain-of-Signal Assays for Probing Inhibition of SARS-CoV-2 M pro /3CL pro in Living Cells. Mbio, 13, 2022
|
|
7X6Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7x6y by Molmil](/molmil-images/mine/7x6y) | |