5J0C
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![BU of 5j0c by Molmil](/molmil-images/mine/5j0c) | Monomeric Human Cu,Zn Superoxide dismutase, loops IV and VII deleted, apo form, circular permutant P2/3 | Descriptor: | Superoxide dismutase [Cu-Zn],Superoxide dismutase [Cu-Zn],OXIDOREDUCTASE,Superoxide dismutase [Cu-Zn] | Authors: | Wang, H, Lang, L, Logan, D, Danielsson, J, Oliveberg, M. | Deposit date: | 2016-03-28 | Release date: | 2017-02-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Tricking a Protein To Swap Strands. J. Am. Chem. Soc., 138, 2016
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3K2P
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![BU of 3k2p by Molmil](/molmil-images/mine/3k2p) | HIV-1 Reverse Transcriptase Isolated RnaseH Domain with the Inhibitor beta-thujaplicinol Bound at the Active Site | Descriptor: | 2,7-dihydroxy-4-(propan-2-yl)cyclohepta-2,4,6-trien-1-one, MANGANESE (II) ION, Reverse Transcriptase | Authors: | Pauly, T.A, Himmel, D.M, Maegley, K, Arnold, E. | Deposit date: | 2009-09-30 | Release date: | 2010-02-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Structure of HIV-1 reverse transcriptase with the inhibitor beta-Thujaplicinol bound at the RNase H active site. Structure, 17, 2009
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5IKN
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![BU of 5ikn by Molmil](/molmil-images/mine/5ikn) | |
6OV7
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![BU of 6ov7 by Molmil](/molmil-images/mine/6ov7) | CFTR Associated Ligand (CAL) PDZ domain bound to peptide kCAL01 | Descriptor: | Golgi-associated PDZ and coiled-coil motif-containing protein, kCAL01 peptide | Authors: | Gill, N.P, Madden, D.R. | Deposit date: | 2019-05-07 | Release date: | 2019-11-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Computational Analysis of Energy Landscapes Reveals Dynamic Features That Contribute to Binding of Inhibitors to CFTR-Associated Ligand. J.Phys.Chem.B, 123, 2019
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5IQC
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![BU of 5iqc by Molmil](/molmil-images/mine/5iqc) | Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Gentamicin C1 | Descriptor: | Bifunctional AAC/APH, CHLORIDE ION, GLYCEROL, ... | Authors: | Caldwell, S.J, Berghuis, A.M. | Deposit date: | 2016-03-10 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia. Structure, 24, 2016
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1SL2
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![BU of 1sl2 by Molmil](/molmil-images/mine/1sl2) | Ternary 5' complex of T7 DNA polymerase with a DNA primer/template containing a cis-syn thymine dimer on the template and an incoming nucleotide | Descriptor: | 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-D(*CP*CP*CP*(TTD)P*AP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*TP*CP*G)-3', 5'-D(*CP*GP*AP*AP*AP*AP*CP*GP*AP*CP*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*TP*(2DA))-3', ... | Authors: | Li, Y, Dutta, S, Doublie, S, Bdour, H.M, Taylor, J.S, Ellenberger, T. | Deposit date: | 2004-03-05 | Release date: | 2004-07-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Nucleotide insertion opposite a cis-syn thymine dimer by a replicative DNA polymerase from bacteriophage T7. Nat.Struct.Mol.Biol., 11, 2004
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1S7G
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![BU of 1s7g by Molmil](/molmil-images/mine/1s7g) | Structural Basis for the Mechanism and Regulation of Sir2 Enzymes | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5-DIPHOSPHORIBOSE, HEXAETHYLENE GLYCOL, ... | Authors: | Avalos, J.L, Boeke, J.D, Wolberger, C. | Deposit date: | 2004-01-29 | Release date: | 2004-03-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for the mechanism and regulation of sir2 enzymes Mol.Cell, 13, 2004
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1SB8
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![BU of 1sb8 by Molmil](/molmil-images/mine/1sb8) | Crystal structure of Pseudomonas aeruginosa UDP-N-acetylglucosamine 4-epimerase complexed with UDP-N-acetylgalactosamine | Descriptor: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE, wbpP | Authors: | Ishiyama, N, Creuzenet, C, Lam, J.S, Berghuis, A.M. | Deposit date: | 2004-02-10 | Release date: | 2004-05-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of WbpP, a Genuine UDP-N-acetylglucosamine 4-Epimerase from Pseudomonas aeruginosa: SUBSTRATE SPECIFICITY IN UDP-HEXOSE 4-EPIMERASES. J.Biol.Chem., 279, 2004
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7OJH
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![BU of 7ojh by Molmil](/molmil-images/mine/7ojh) | ABCG2 topotecan turnover-1 state | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, ... | Authors: | Yu, Q, Ni, D, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | Deposit date: | 2021-05-15 | Release date: | 2021-07-21 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism. Nat Commun, 12, 2021
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7ORF
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![BU of 7orf by Molmil](/molmil-images/mine/7orf) | Crystal structure of JNK3 in complex with FMU-001-367 (compound 1) | Descriptor: | 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 10, ... | Authors: | Chaikuad, A, Koch, P, Laufer, S, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-06-05 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Controlling the Covalent Reactivity of a Kinase Inhibitor with Light. Angew.Chem.Int.Ed.Engl., 60, 2021
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3KIP
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![BU of 3kip by Molmil](/molmil-images/mine/3kip) | Crystal structure of type-II 3-dehydroquinase from C. albicans | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinase, type II, ... | Authors: | Trapani, S, Schoehn, G, Navaza, J, Abergel, C. | Deposit date: | 2009-11-02 | Release date: | 2010-05-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Macromolecular crystal data phased by negative-stained electron-microscopy reconstructions. Acta Crystallogr.,Sect.D, 66, 2010
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5K7R
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![BU of 5k7r by Molmil](/molmil-images/mine/5k7r) | MicroED structure of trypsin at 1.7 A resolution | Descriptor: | CALCIUM ION, Cationic trypsin | Authors: | de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T. | Deposit date: | 2016-05-26 | Release date: | 2017-04-05 | Last modified: | 2018-08-22 | Method: | ELECTRON CRYSTALLOGRAPHY (1.7 Å) | Cite: | Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED. Nat. Methods, 14, 2017
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3KML
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1SL5
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![BU of 1sl5 by Molmil](/molmil-images/mine/1sl5) | Crystal Structure of DC-SIGN carbohydrate recognition domain complexed with LNFP III (Dextra L504). | Descriptor: | CALCIUM ION, MAGNESIUM ION, alpha-L-fucopyranose-(1-3)-[beta-D-galactopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, ... | Authors: | Guo, Y, Feinberg, H, Conroy, E, Mitchell, D.A, Alvarez, R, Blixt, O, Taylor, M.E, Weis, W.I, Drickamer, K. | Deposit date: | 2004-03-05 | Release date: | 2004-06-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for distinct ligand-binding and targeting properties of the receptors
DC-SIGN and DC-SIGNR Nat.Struct.Mol.Biol., 11, 2004
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1RXX
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![BU of 1rxx by Molmil](/molmil-images/mine/1rxx) | Structure of arginine deiminase | Descriptor: | Arginine deiminase | Authors: | Galkin, A, Kulakova, L, Sarikaya, E, Lim, K, Howard, A, Herzberg, O, Structure 2 Function Project (S2F) | Deposit date: | 2003-12-18 | Release date: | 2004-01-13 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structural insight into arginine degradation by arginine deiminase, an antibacterial and parasite drug target. J.Biol.Chem., 279, 2004
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3KY9
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![BU of 3ky9 by Molmil](/molmil-images/mine/3ky9) | Autoinhibited Vav1 | Descriptor: | Proto-oncogene vav, ZINC ION | Authors: | Tomchick, D.R, Rosen, M.K, Machius, M, Yu, B. | Deposit date: | 2009-12-04 | Release date: | 2010-02-23 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.731 Å) | Cite: | Structural and Energetic Mechanisms of Cooperative Autoinhibition and Activation of Vav1 Cell(Cambridge,Mass.), 140, 2010
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1SKW
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![BU of 1skw by Molmil](/molmil-images/mine/1skw) | Binary 3' complex of T7 DNA polymerase with a DNA primer/template containing a disordered cis-syn thymine dimer on the template | Descriptor: | 5'-D(*CP*CP*CP*(TTD)P*AP*GP*GP*CP*AP*CP*TP*GP*GP*CP*CP*GP*TP*CP*GP*TP*TP*TP*TP*CP*G)-3', 5'-D(*CP*GP*AP*AP*AP*AP*CP*GP*AP*C*GP*GP*CP*CP*AP*GP*TP*GP*CP*CP*(2DT))-3', DNA polymerase, ... | Authors: | Li, Y, Dutta, S, Doublie, S, Bdour, H.M, Taylor, J.S, Ellenberger, T. | Deposit date: | 2004-03-05 | Release date: | 2004-07-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Nucleotide insertion opposite a cis-syn thymine dimer by a replicative DNA polymerase from bacteriophage T7. Nat.Struct.Mol.Biol., 11, 2004
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7OJ8
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![BU of 7oj8 by Molmil](/molmil-images/mine/7oj8) | ABCG2 E1S turnover-2 state | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, CHOLESTEROL, ... | Authors: | Ni, D, Yu, Q, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | Deposit date: | 2021-05-14 | Release date: | 2021-07-21 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism. Nat Commun, 12, 2021
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3J9G
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![BU of 3j9g by Molmil](/molmil-images/mine/3j9g) | Atomic model of the VipA/VipB, the type six secretion system contractile sheath of Vibrio cholerae from cryo-EM | Descriptor: | VipA, VipB | Authors: | Kudryashev, M, Wang, R.Y.-R, Brackmann, M, Scherer, S, Maier, T, Baker, D, DiMaio, F, Stahlberg, H, Egelman, E.H, Basler, M. | Deposit date: | 2015-01-16 | Release date: | 2015-03-11 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structure of the Type VI Secretion System Contractile Sheath. Cell(Cambridge,Mass.), 160, 2015
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7OJI
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![BU of 7oji by Molmil](/molmil-images/mine/7oji) | ABCG2 topotecan turnover-2 state | Descriptor: | (S)-10-[(DIMETHYLAMINO)METHYL]-4-ETHYL-4,9-DIHYDROXY-1H-PYRANO[3',4':6,7]INOLIZINO[1,2-B]-QUINOLINE-3,14(4H,12H)-DIONE, ADENOSINE-5'-TRIPHOSPHATE, Broad substrate specificity ATP-binding cassette transporter ABCG2, ... | Authors: | Yu, Q, Ni, D, Kowal, J, Manolaridis, I, Jackson, S.M, Stahlberg, H, Locher, K.P. | Deposit date: | 2021-05-16 | Release date: | 2021-07-21 | Last modified: | 2021-07-28 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structures of ABCG2 under turnover conditions reveal a key step in the drug transport mechanism. Nat Commun, 12, 2021
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7ORE
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![BU of 7ore by Molmil](/molmil-images/mine/7ore) | Crystal structure of JNK3 in complex with light-activated covalent inhibitor MR-II-249 with both non-covalent and covalent binding modes (compound 4) | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-N-[(5Z)-9-[[4-[5-(4-fluorophenyl)-3-methyl-2-methylsulfanyl-imidazol-4-yl]pyridin-2-yl]amino]-11,12-dihydrobenzo[c][1,2]benzodiazocin-2-yl]butanamide, Mitogen-activated protein kinase 10 | Authors: | Chaikuad, A, Reynders, M, Trauner, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-06-05 | Release date: | 2021-07-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Controlling the Covalent Reactivity of a Kinase Inhibitor with Light. Angew.Chem.Int.Ed.Engl., 60, 2021
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3K8Z
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![BU of 3k8z by Molmil](/molmil-images/mine/3k8z) | Crystal Structure of Gudb1 a decryptified secondary glutamate dehydrogenase from B. subtilis | Descriptor: | NAD-specific glutamate dehydrogenase | Authors: | Gunka, K, Newman, J.A, Commichau, F.M, Herzberg, C, Rodrigues, C, Hewitt, L, Lewis, R.J, Stulke, J. | Deposit date: | 2009-10-15 | Release date: | 2010-06-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Functional dissection of a trigger enzyme: mutations of the bacillus subtilis glutamate dehydrogenase RocG that affect differentially its catalytic activity and regulatory properties J.Mol.Biol., 400, 2010
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1UM4
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![BU of 1um4 by Molmil](/molmil-images/mine/1um4) | Catalytic Antibody 21H3 with hapten | Descriptor: | (1R)-1-PHENYLETHYL 4-(ACETYLAMINO)BENZYLPHOSPHONATE, Antibody 21H3 H chain, Antibody 21H3 L chain | Authors: | Beuscher IV, A.E, Reuter, J, Olson, A.J, Romesberg, F.E, Schultz, P.G, Wirsching, P, Janda, K.D, Lerner, R.A, Stevens, R.C. | Deposit date: | 2003-09-23 | Release date: | 2004-10-05 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Studies of an Efficient Catalytic Antibody Operating by Ping-Pong and Induced Fit Mechanisms To be Published
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5JV0
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![BU of 5jv0 by Molmil](/molmil-images/mine/5jv0) | Crystal structure of human FPPS in complex with an allosteric inhibitor CL-08-038 | Descriptor: | Farnesyl pyrophosphate synthase, SULFATE ION, [(1R)-2-(3-fluorophenyl)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethyl]phosphonic acid | Authors: | Park, J, Leung, C.Y, Tsantrizos, Y.S, Berghuis, A.M. | Deposit date: | 2016-05-10 | Release date: | 2017-03-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Pharmacophore Mapping of Thienopyrimidine-Based Monophosphonate (ThP-MP) Inhibitors of the Human Farnesyl Pyrophosphate Synthase. J. Med. Chem., 60, 2017
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5JZ7
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![BU of 5jz7 by Molmil](/molmil-images/mine/5jz7) | NGF IN COMPLEX WITH MEDI578 scFv | Descriptor: | Beta-nerve growth factor, MEDI578 scFv, heavy chain, ... | Authors: | Olsson, L.-L, Aagaard, A. | Deposit date: | 2016-05-16 | Release date: | 2017-01-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.4 Å) | Cite: | Engineering the surface properties of a human monoclonal antibody prevents self-association and rapid clearance in vivo. Sci Rep, 6, 2016
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