5MA2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ma2 by Molmil](/molmil-images/mine/5ma2) | PCE reductive dehalogenase from S. multivorans in complex with 4-iodophenol | Descriptor: | 4-IODOPHENOL, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-11-03 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.879 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
|
|
5M91
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5m91 by Molmil](/molmil-images/mine/5m91) | PCE reductive dehalogenase from S. multivorans in complex with 2,6-dibromophenol | Descriptor: | 2,6-bis(bromanyl)phenol, BENZAMIDINE, GLYCEROL, ... | Authors: | Kunze, C, Bommer, M, Hagen, W.R, Uksa, M, Dobbek, H, Schubert, T, Diekert, G. | Deposit date: | 2016-10-31 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.719 Å) | Cite: | Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer. Nat Commun, 8, 2017
|
|
6Q4R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6q4r by Molmil](/molmil-images/mine/6q4r) | High-resolution crystal structure of ERAP1 with bound phosphinic transition-state analogue inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Giastas, P, Neu, M, Rowland, P, Stratikos, E. | Deposit date: | 2018-12-06 | Release date: | 2019-04-10 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | High-Resolution Crystal Structure of Endoplasmic Reticulum Aminopeptidase 1 with Bound Phosphinic Transition-State Analogue Inhibitor. Acs Med.Chem.Lett., 10, 2019
|
|
5MDK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mdk by Molmil](/molmil-images/mine/5mdk) | Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form (oxidized state - state 3) | Descriptor: | CHLORIDE ION, FE3-S4 CLUSTER, FE4-S3 CLUSTER, ... | Authors: | Schmidt, A, Kalms, J, Scheerer, P. | Deposit date: | 2016-11-11 | Release date: | 2018-02-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Tracking the route of molecular oxygen in O2-tolerant membrane-bound [NiFe] hydrogenase. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
8F4O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f4o by Molmil](/molmil-images/mine/8f4o) | Apo structure of the TPP riboswitch aptamer domain | Descriptor: | IRIDIUM HEXAMMINE ION, TETRAETHYLENE GLYCOL, TPP riboswitch aptamer domain, ... | Authors: | Lee, H.-K, Wang, Y.-X, Stagno, J.R. | Deposit date: | 2022-11-11 | Release date: | 2023-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of Escherichia coli thiamine pyrophosphate-sensing riboswitch in the apo state. Structure, 31, 2023
|
|
6GEL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gel by Molmil](/molmil-images/mine/6gel) | The structure of TWITCH-2B | Descriptor: | CALCIUM ION, FORMIC ACID, GLYCEROL, ... | Authors: | Trigo Mourino, P, Paulat, M, Thestrup, T, Griesbeck, O, Griesinger, C, Becker, S. | Deposit date: | 2018-04-26 | Release date: | 2019-08-21 | Last modified: | 2019-09-11 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Dynamic tuning of FRET in a green fluorescent protein biosensor. Sci Adv, 5, 2019
|
|
8SQM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8sqm by Molmil](/molmil-images/mine/8sqm) | |
5MJ3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mj3 by Molmil](/molmil-images/mine/5mj3) | INTERLEUKIN-23 COMPLEX WITH AN ANTAGONISTIC ALPHABODY, CRYSTAL FORM 1 | Descriptor: | ALPHABODY MA12, Interleukin-12 subunit beta, Interleukin-23 subunit alpha, ... | Authors: | Desmet, J, Verstraete, K, Bloch, Y, Lorent, E, Wen, Y, Devreese, B, Vandenbroucke, K, Loverix, S, Hettmann, T, Deroo, S, Somers, K, Hendrikx, P, Lasters, I, Savvides, S.N. | Deposit date: | 2016-11-29 | Release date: | 2017-01-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Structural Basis Of Il-23 Antagonism By An Alphabody Protein Scaffold. Nat Commun, 5, 2014
|
|
1GVV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gvv by Molmil](/molmil-images/mine/1gvv) | Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes; implications for the Aspartic Proteinase Mechanism | Descriptor: | ENDOTHIAPEPSIN, N-[(5S,9S,10S,13S)-9-hydroxy-5,10-bis(2-methylpropyl)-4,7,12,16-tetraoxo-3,6,11,17-tetraazabicyclo[17.3.1]tricosa-1(23),19,21-trien-13-yl]-3-(naphthalen-1-yl)-2-(naphthalen-1-ylmethyl)propanamide, SULFATE ION | Authors: | Coates, L, Erskine, P.T, Crump, M.P, Wood, S.P, Cooper, J.B. | Deposit date: | 2002-02-27 | Release date: | 2002-07-04 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Five Atomic Resolution Structures of Endothiapepsin Inhibitor Complexes: Implications for the Aspartic Proteinase Mechanism J.Mol.Biol., 318, 2002
|
|
8EEW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8eew by Molmil](/molmil-images/mine/8eew) | CryoEM of the soluble OPA1 dimer from the GDP-AlFx bound helical assembly on a lipid membrane | Descriptor: | Dynamin-like 120 kDa protein, form S1, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Nyenhuis, S.B, Wu, X, Stanton, A.E, Strub, M.P, Yim, Y.I, Canagarajah, B, Hinshaw, J.E. | Deposit date: | 2022-09-07 | Release date: | 2023-06-28 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (5.48 Å) | Cite: | OPA1 helical structures give perspective to mitochondrial dysfunction. Nature, 620, 2023
|
|
6BVN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bvn by Molmil](/molmil-images/mine/6bvn) | |
8F9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8f9x by Molmil](/molmil-images/mine/8f9x) | Cyclase-PTE | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Ji, D, Frkic, R.L, Jackson, C.J. | Deposit date: | 2022-11-24 | Release date: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Cyclase-PTE To Be Published
|
|
6BXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bxy by Molmil](/molmil-images/mine/6bxy) | Menin in complex with MI-1481 | Descriptor: | 1,2-ETHANEDIOL, 4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Borkin, D, Klossowski, S, Pollock, J, Linhares, B, Cierpicki, T, Grembecka, J. | Deposit date: | 2017-12-19 | Release date: | 2018-11-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Complexity of Blocking Bivalent Protein-Protein Interactions: Development of a Highly Potent Inhibitor of the Menin-Mixed-Lineage Leukemia Interaction. J.Med.Chem., 61, 2018
|
|
6BQT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bqt by Molmil](/molmil-images/mine/6bqt) | |
6BZ2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bz2 by Molmil](/molmil-images/mine/6bz2) | Crystal structure of wild-type HIV-1 protease with a novel HIV-1 inhibitor GRL-14213A of 6-5-5-ring fused crown-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand | Descriptor: | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | Deposit date: | 2017-12-22 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Design of Highly Potent, Dual-Acting and Central-Nervous-System-Penetrating HIV-1 Protease Inhibitors with Excellent Potency against Multidrug-Resistant HIV-1 Variants. ChemMedChem, 13, 2018
|
|
1H5N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1h5n by Molmil](/molmil-images/mine/1h5n) | DMSO REDUCTASE MODIFIED BY THE PRESENCE OF DMS AND AIR | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM(VI) ION, ... | Authors: | Bailey, S, Adams, B, Smith, A.T, Richards, R.L, Lowe, D.J, Bray, R.C. | Deposit date: | 2001-05-22 | Release date: | 2002-05-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Reactions of Dimethyl Sulphoxide Reductase in the Presence of Dimethylsulphide and the Structure of the Dimethylsulphide-Modified Enzyme Biochemistry, 40, 2001
|
|
6GQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gqb by Molmil](/molmil-images/mine/6gqb) | Cryo-EM reconstruction of yeast 80S ribosome in complex with mRNA, tRNA and eEF2 (GDP+AlF4/sordarin) | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein S0-A, 40S ribosomal protein S1-A, ... | Authors: | Pellegrino, S, Yusupov, M, Yusupova, G, Hashem, Y. | Deposit date: | 2018-06-07 | Release date: | 2018-07-11 | Last modified: | 2021-08-04 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural Insights into the Role of Diphthamide on Elongation Factor 2 in mRNA Reading-Frame Maintenance. J. Mol. Biol., 430, 2018
|
|
2PK3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pk3 by Molmil](/molmil-images/mine/2pk3) | Crystal Structure of a GDP-4-keto-6-deoxy-D-mannose reductase | Descriptor: | GDP-6-deoxy-D-lyxo-4-hexulose reductase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | Authors: | Webb, N.A, Garavito, R.M. | Deposit date: | 2007-04-17 | Release date: | 2008-03-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | The structural basis for catalytic function of GMD and RMD, two closely related enzymes from the GDP-D-rhamnose biosynthesis pathway. Febs J., 276, 2009
|
|
5N7J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5n7j by Molmil](/molmil-images/mine/5n7j) | |
6CXY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cxy by Molmil](/molmil-images/mine/6cxy) | |
5ND4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5nd4 by Molmil](/molmil-images/mine/5nd4) | Microtubule-bound MKLP2 motor domain in the presence of ADP.AlFx | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Atherton, J, Yu, I.-M, Cook, A, Muretta, J.M, Joseph, A.P, Major, J, Sourigues, Y, Clause, J, Topf, M, Rosenfeld, S.S, Houdusse, A, Moores, C.A. | Deposit date: | 2017-03-07 | Release date: | 2017-10-04 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.4 Å) | Cite: | The divergent mitotic kinesin MKLP2 exhibits atypical structure and mechanochemistry. Elife, 6, 2017
|
|
8QDO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8qdo by Molmil](/molmil-images/mine/8qdo) | Crystal structure of the tegument protein UL82 (pp71) from Human Cytomegalovirus | Descriptor: | Protein pp71, TETRAETHYLENE GLYCOL | Authors: | Bresch, I.P, Eberhage, J, Reubold, T.F, Eschenburg, S. | Deposit date: | 2023-08-30 | Release date: | 2024-02-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of the tegument protein UL82 (pp71) from human cytomegalovirus. Protein Sci., 33, 2024
|
|
6D1X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6d1x by Molmil](/molmil-images/mine/6d1x) | N-Domain Of Grp94, with the Charged Domain, In Complex With the Novel Ligand N-Propyl Carboxyamido Adenosine | Descriptor: | Endoplasmin, N-PROPYL CARBOXYAMIDO ADENOSINE, TETRAETHYLENE GLYCOL | Authors: | Gewirth, D.T, Immormino, R.M. | Deposit date: | 2018-04-12 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | NECA derivatives exploit the paralog-specific properties of the site 3 side pocket of Grp94, the endoplasmic reticulum Hsp90. J.Biol.Chem., 294, 2019
|
|
6QQ8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qq8 by Molmil](/molmil-images/mine/6qq8) | |
6QQD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6qqd by Molmil](/molmil-images/mine/6qqd) | |