4O24
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o24 by Molmil](/molmil-images/mine/4o24) | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities | Descriptor: | (5~{Z})-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, Exonuclease, putative, ... | Authors: | Shibata, A, Moiani, D, Arvai, A.S, Perry, J, Harding, S.M, Genois, M, Maity, R, Rossum-Fikkert, S, Kertokalio, A, Romoli, F, Ismail, A, Ismalaj, E, Petricci, E, Neale, M.J, Bristow, R.G, Masson, J, Wyman, C, Jeggo, P.A, Tainer, J.A. | Deposit date: | 2013-12-16 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | DNA Double-Strand Break Repair Pathway Choice Is Directed by Distinct MRE11 Nuclease Activities. Mol.Cell, 53, 2014
|
|
6GUL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gul by Molmil](/molmil-images/mine/6gul) | Siderophore hydrolase EstB mutant E211Q from Aspergillus fumigatus | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | Authors: | Ecker, F, Haas, H, Groll, M, Huber, E.M. | Deposit date: | 2018-06-19 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases. Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
3E3H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e3h by Molmil](/molmil-images/mine/3e3h) | Crystal structure of the OP hydrolase mutant from Brevundimonas diminuta | Descriptor: | COBALT (II) ION, DIETHYL 4-METHYLBENZYLPHOSPHONATE, Parathion hydrolase | Authors: | Li, P, Reeves, T.E, Grimsley, J.K, Wild, J.R. | Deposit date: | 2008-08-07 | Release date: | 2008-10-07 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Balancing the stability and the catalytic specificities of OP hydrolases with enhanced V-agent activities. Protein Eng.Des.Sel., 21, 2008
|
|
4O1Q
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4o1q by Molmil](/molmil-images/mine/4o1q) | |
3E4W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3e4w by Molmil](/molmil-images/mine/3e4w) | |
3BC3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bc3 by Molmil](/molmil-images/mine/3bc3) | Exploring inhibitor binding at the S subsites of cathepsin L | Descriptor: | Cathepsin L heavy and light chains, S-benzyl-N-(biphenyl-4-ylacetyl)-L-cysteinyl-N~5~-(diaminomethyl)-D-ornithyl-N-(2-phenylethyl)-L-tyrosinamide | Authors: | Chowdhury, S.F, Joseph, L, Kumar, S, Tulsidas, S.R, Bhat, S, Ziomek, E, Nard, R.M, Sivaraman, J, Purisima, E.O. | Deposit date: | 2007-11-12 | Release date: | 2008-03-18 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring inhibitor binding at the S' subsites of cathepsin L J.Med.Chem., 51, 2008
|
|
3BAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bar by Molmil](/molmil-images/mine/3bar) | Crystal structure of Plasmodium falciparum orotidine 5'-phosphate decarboxylase covalently modified by 6-azido-UMP | Descriptor: | Orotidine 5'-phosphate decarboxylase, URIDINE-5'-MONOPHOSPHATE | Authors: | Liu, Y, Bello, A.M, Poduch, E, Lau, W, Kotra, L.P, Pai, E.F. | Deposit date: | 2007-11-08 | Release date: | 2008-01-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Activity Relationships of C6-Uridine Derivatives Targeting Plasmodia Orotidine Monophosphate Decarboxylase. J.Med.Chem., 51, 2008
|
|
3P1M
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3p1m by Molmil](/molmil-images/mine/3p1m) | Crystal structure of human ferredoxin-1 (FDX1) in complex with iron-sulfur cluster | Descriptor: | Adrenodoxin, mitochondrial, CITRATE ANION, ... | Authors: | Chaikuad, A, Johansson, C, Krojer, T, Yue, W.W, Phillips, C, Bray, J.E, Pike, A.C.W, Muniz, J.R.C, Vollmar, M, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kavanagh, K, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2010-09-30 | Release date: | 2010-11-03 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Crystal structure of human ferredoxin-1 (FDX1) in complex with iron-sulfur cluster To be Published
|
|
6GV6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gv6 by Molmil](/molmil-images/mine/6gv6) | |
2P7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p7o by Molmil](/molmil-images/mine/2p7o) | Crystal structure of genomically encoded fosfomycin resistance protein, FosX, from Listeria monocytogenes (tetragonal form) | Descriptor: | Glyoxalase family protein, MANGANESE (II) ION | Authors: | Fillgrove, K.L, Pakhomova, S, Schaab, M, Newcomer, M.E, Armstrong, R.N. | Deposit date: | 2007-03-20 | Release date: | 2007-07-17 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.44 Å) | Cite: | Structure and Mechanism of the Genomically Encoded Fosfomycin Resistance Protein, FosX, from Listeria monocytogenes. Biochemistry, 46, 2007
|
|
4JSU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4jsu by Molmil](/molmil-images/mine/4jsu) | Yeast 20S proteasome in complex with the dimerized linear mimetic of TMC-95A - yCP:3a | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | Authors: | Desvergne, A, Genin, E, Marechal, X, Gallastegui, N, Dufau, L, Richy, N, Groll, M, Vidal, J, Reboud-Ravaux, M. | Deposit date: | 2013-03-22 | Release date: | 2013-05-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Dimerized linear mimics of a natural cyclopeptide (TMC-95A) are potent noncovalent inhibitors of the eukaryotic 20S proteasome J.Med.Chem., 56, 2013
|
|
6GGO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ggo by Molmil](/molmil-images/mine/6ggo) | Crystal structure of Salmonella zinc metalloprotease effector GtgA | Descriptor: | Bacteriophage virulence determinant, CHLORIDE ION, ZINC ION | Authors: | Jennings, E, Esposito, D, Rittinger, K, Thurston, T. | Deposit date: | 2018-05-03 | Release date: | 2018-08-29 | Last modified: | 2018-10-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure-function analyses of the bacterial zinc metalloprotease effector protein GtgA uncover key residues required for deactivating NF-kappa B. J. Biol. Chem., 293, 2018
|
|
3BD7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3bd7 by Molmil](/molmil-images/mine/3bd7) | Glycogen Phosphorylase complex with 1(-D-glucopyranosyl) thymine | Descriptor: | 1-beta-D-glucopyranosyl-5-methylpyrimidine-2,4(1H,3H)-dione, Glycogen phosphorylase, muscle form, ... | Authors: | Sovantzis, D.A, Hadjiloi, T, Hayes, J.M, Zographos, S.E, Chrysina, E.D, Oikonomakos, N.G. | Deposit date: | 2007-11-14 | Release date: | 2008-11-18 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | D-Glucopyranosyl pyrimidine nucleoside binding to muscle glycogen phosphorylase b To be Published
|
|
1UWV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uwv by Molmil](/molmil-images/mine/1uwv) | Crystal Structure of RumA, the iron-sulfur cluster containing E. coli 23S Ribosomal RNA 5-Methyluridine Methyltransferase | Descriptor: | 23S RRNA (URACIL-5-)-METHYLTRANSFERASE RUMA, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Lee, T.T, Agarwalla, S, Stroud, R.M. | Deposit date: | 2004-02-11 | Release date: | 2004-03-18 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal Structure of Ruma, an Iron-Sulfur Cluster Containing E. Coli Ribosomal RNA 5-Methyluridine Methyltransferase. Structure, 12, 2004
|
|
6GYO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gyo by Molmil](/molmil-images/mine/6gyo) | Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel in complex with cAMP | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 1,2-Distearoyl-sn-glycerophosphoethanolamine, ... | Authors: | Shintre, C.A, Pike, A.C.W, Tessitore, A, Young, M, Bushell, S.R, Strain-Damerell, C, Mukhopadhyay, S, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-30 | Release date: | 2019-05-01 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel To Be Published
|
|
3H8C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3h8c by Molmil](/molmil-images/mine/3h8c) | A combined crystallographic and molecular dynamics study of cathepsin-L retro-binding inhibitors (compound 14) | Descriptor: | Cathepsin L1, N-(biphenyl-4-ylacetyl)-S-methyl-L-cysteinyl-D-arginyl-N-(2-phenylethyl)-L-phenylalaninamide | Authors: | Tulsidas, S.R, Chowdhury, S.F, Kumar, S, Joseph, L, Purisima, E.O, Sivaraman, J. | Deposit date: | 2009-04-29 | Release date: | 2009-10-20 | Last modified: | 2014-11-12 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | A Combined Crystallographic and Molecular Dynamics Study of Cathepsin L Retrobinding Inhibitors J.Med.Chem., 2009
|
|
2PC0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pc0 by Molmil](/molmil-images/mine/2pc0) | Apo Wild-type HIV Protease in the open conformation | Descriptor: | MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL | Authors: | Heaslet, H, Rosenfeld, R, Giffin, M.J, Elder, J.H, McRee, D.E, Stout, C.D. | Deposit date: | 2007-03-29 | Release date: | 2007-06-26 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Conformational flexibility in the flap domains of ligand-free HIV protease. Acta Crystallogr.,Sect.D, 63, 2007
|
|
2PD1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2pd1 by Molmil](/molmil-images/mine/2pd1) | Crystal structure of NE2512 protein of unknown function from Nitrosomonas europaea | Descriptor: | ACETATE ION, Hypothetical protein | Authors: | Osipiuk, J, Evdokimova, E, Kagan, O, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2007-03-30 | Release date: | 2007-05-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Crystal structure of NE2512 protein of unknown function from Nitrosomonas europaea. To be Published
|
|
2X7O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x7o by Molmil](/molmil-images/mine/2x7o) | Crystal structure of TGFbRI complexed with an indolinone inhibitor | Descriptor: | (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE, TGF-BETA RECEPTOR TYPE I | Authors: | Roth, G.J, Heckel, A, Brandl, T, Grauert, M, Hoerer, S, Kley, J.T, Schnapp, G, Baum, P, Mennerich, D, Schnapp, A, Park, J.E. | Deposit date: | 2010-03-03 | Release date: | 2010-10-20 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | Design, Synthesis and Evaluation of Indolinones as Inhibitors of the Transforming Growth Factor Beta Receptor I (Tgfbri) J.Med.Chem., 53, 2010
|
|
4POG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4pog by Molmil](/molmil-images/mine/4pog) | MCM-ssDNA co-crystal structure | Descriptor: | 30-mer oligo(dT), Cell division control protein 21, ZINC ION | Authors: | Froelich, C.A, Kang, S, Epling, L.B, Bell, S.P, Enemark, E.J. | Deposit date: | 2014-02-25 | Release date: | 2014-04-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.203 Å) | Cite: | A conserved MCM single-stranded DNA binding element is essential for replication initiation. Elife, 3, 2014
|
|
2P34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2p34 by Molmil](/molmil-images/mine/2p34) | Crystal structure of a lectin from Canavalia maritima seeds (CML) in complex with man1-4man-OMe | Descriptor: | CALCIUM ION, Lectin, MANGANESE (II) ION, ... | Authors: | Moreno, F.B.M.B, Bezerra, G.A, Oliveira, T.M, Souza, E.P, Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W. | Deposit date: | 2007-03-08 | Release date: | 2008-01-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: new insights into the understanding of the structure-biological activity relationship in legume lectins. J.Struct.Biol., 160, 2007
|
|
2CG6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2cg6 by Molmil](/molmil-images/mine/2cg6) | Second and third fibronectin type I module pair (crystal form I). | Descriptor: | HUMAN FIBRONECTIN, SULFATE ION | Authors: | Rudino-Pinera, E, Ravelli, R.B.G, Sheldrick, G.M, Nanao, M.H, Werner, J.M, Schwarz-Linek, U, Potts, J.R, Garman, E.F. | Deposit date: | 2006-02-27 | Release date: | 2007-02-27 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Solution and Crystal Structures of a Module Pair from the Staphylococcus Aureus-Binding Site of Human Fibronectin-A Tale with a Twist. J.Mol.Biol., 368, 2007
|
|
6GOZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6goz by Molmil](/molmil-images/mine/6goz) | Structure of mEos4b in the green long-lived dark state | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | Authors: | De Zitter, E, Adam, V, Byrdin, M, Van Meervelt, L, Dedecker, P, Bourgeois, D. | Deposit date: | 2018-06-04 | Release date: | 2019-11-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.406 Å) | Cite: | Mechanistic Investigations of Green mEos4b Reveal a Dynamic Long-Lived Dark State. J.Am.Chem.Soc., 2020
|
|
3GWW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3gww by Molmil](/molmil-images/mine/3gww) | Leucine transporter LeuT in complex with S-fluoxetine | Descriptor: | (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine, LEUCINE, SODIUM ION, ... | Authors: | Zhou, Z, Zhen, J, Karpowich, N.K, Law, C.J, Reith, M.E.A, Wang, D.N. | Deposit date: | 2009-04-01 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Antidepressant specificity of serotonin transporter suggested by three LeuT-SSRI structures. Nat.Struct.Mol.Biol., 16, 2009
|
|
1UWB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1uwb by Molmil](/molmil-images/mine/1uwb) | TYR 181 CYS HIV-1 RT/8-CL TIBO | Descriptor: | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT-2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A-TRIAZA-BENZO[CD]AZULENE-1-THIONE, REVERSE TRANSCRIPTASE | Authors: | Das, K, Ding, J, Hsiou, Y, Arnold, E. | Deposit date: | 1996-11-21 | Release date: | 1997-05-15 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Crystal structures of 8-Cl and 9-Cl TIBO complexed with wild-type HIV-1 RT and 8-Cl TIBO complexed with the Tyr181Cys HIV-1 RT drug-resistant mutant. J.Mol.Biol., 264, 1996
|
|