4N2K
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n2k by Molmil](/molmil-images/mine/4n2k) | Crystal structure of Protein Arginine Deiminase 2 (Q350A, 0 mM Ca2+) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Slade, D.J, Zhang, X, Fang, P, Dreyton, C.J, Zhang, Y, Gross, M.L, Guo, M, Coonrod, S.A, Thompson, P.R. | Deposit date: | 2013-10-05 | Release date: | 2015-02-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Protein arginine deiminase 2 binds calcium in an ordered fashion: implications for inhibitor design. Acs Chem.Biol., 10, 2015
|
|
4N7F
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4n7f by Molmil](/molmil-images/mine/4n7f) | |
4NAR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nar by Molmil](/molmil-images/mine/4nar) | Crystal Structure of the Q9WYS3 protein from Thermotoga maritima. Northeast Structural Genomics Consortium Target VR152 | Descriptor: | ACETATE ION, Putative uronate isomerase, SULFATE ION | Authors: | Vorobiev, S, Lew, S, Seetharaman, J, Chi, Y, Xiao, R, Maglaqui, M, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-10-22 | Release date: | 2013-11-06 | Method: | X-RAY DIFFRACTION (2.388 Å) | Cite: | Crystal Structure of the Q9WYS3 protein from Thermotoga maritima. To be Published
|
|
4DMB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dmb by Molmil](/molmil-images/mine/4dmb) | X-ray structure of human hepatitus C virus NS5A-transactivated protein 2 at the resolution 1.9A, Northeast Structural Genomics Consortium (NESG) Target HR6723 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HD domain-containing protein 2, ... | Authors: | Kuzin, A, Su, M, Seetharaman, J, Patel, P, Xiao, R, Ciccosanti, C, Lee, D, Everett, J.K, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG), Mitochondrial Protein Partnership (MPP) | Deposit date: | 2012-02-07 | Release date: | 2012-04-04 | Last modified: | 2012-04-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Northeast Structural Genomics Consortium Target HR6723 To be Published
|
|
4DL6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dl6 by Molmil](/molmil-images/mine/4dl6) | Human DNA polymerase eta extending primer immediately after cisplatin crosslink (Pt-GG3). | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]guanosine, Cisplatin, DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*CP*C)-3'), ... | Authors: | Zhao, Y, Biertumpfel, C, Gregory, M, Hua, Y, Hanaoka, F, Yang, W. | Deposit date: | 2012-02-05 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4K36
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k36 by Molmil](/molmil-images/mine/4k36) | His6 tagged anSMEcpe with bound AdoMet | Descriptor: | Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, IRON/SULFUR CLUSTER, ... | Authors: | Goldman, P.J, Drennan, C.L. | Deposit date: | 2013-04-10 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.619 Å) | Cite: | X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification. Proc.Natl.Acad.Sci.USA, 110, 2013
|
|
4DKO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dko by Molmil](/molmil-images/mine/4dko) | Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with TS-II-224 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 gp120 core, ... | Authors: | Kwon, Y.D, LaLonde, J.M, Jones, D.M, Sun, A.W, Courter, J.R, Soeta, T, Kobayashi, T, Princiotto, A.M, Wu, X, Mascola, J, Schon, A, Freire, E, Sodroski, J, Madani, N, Smith III, A.B, Kwong, P.D. | Deposit date: | 2012-02-03 | Release date: | 2012-05-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.981 Å) | Cite: | Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors. J.Med.Chem., 55, 2012
|
|
4DL4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4dl4 by Molmil](/molmil-images/mine/4dl4) | Human DNA polymerase eta inserting dCMPNPP opposite the 3'G of cisplatin crosslinked Gs (Pt-GG1). | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, Cisplatin, DNA (5'-D(*TP*AP*GP*TP*GP*TP*GP*AP*G)-3'), ... | Authors: | Zhao, Y, Biertumpfel, C, Gregory, M, Hua, Y.-J, Hanaoka, F, Yang, W. | Deposit date: | 2012-02-05 | Release date: | 2012-05-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Chemoresistance to Cisplatin Mediated by DNA Polymerase eta Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
4KEU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4keu by Molmil](/molmil-images/mine/4keu) | Crystal structure of SsoPox W263M | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | Authors: | Gotthard, G, Hiblot, J, Chabriere, E, Elias, M. | Deposit date: | 2013-04-26 | Release date: | 2013-10-02 | Last modified: | 2013-11-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Differential Active Site Loop Conformations Mediate Promiscuous Activities in the Lactonase SsoPox. Plos One, 8, 2013
|
|
4KN5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kn5 by Molmil](/molmil-images/mine/4kn5) | |
4EFC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4efc by Molmil](/molmil-images/mine/4efc) | Crystal Structure of Adenylosuccinate Lyase from Trypanosoma Brucei, Tb427tmp.160.5560 | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Adenylosuccinate lyase, ... | Authors: | Wernimont, A.K, Loppnau, P, Osman, K.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Robinson, D.A, Wyatt, P.G, Gilbert, I.H, Fairlamb, A.H, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC) | Deposit date: | 2012-03-29 | Release date: | 2013-02-13 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of Adenylosuccinate Lyase from Trypanosoma Brucei, Tb427tmp.160.5560 To be Published
|
|
4K7Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k7z by Molmil](/molmil-images/mine/4k7z) | Crystal structure of the C136(42)A/C141(47)A double mutant of Tn501 MerA in complex with NADP and Hg2+ | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MERCURY (II) ION, ... | Authors: | Dong, A, Falkowaski, M, Malone, M, Miller, S.M, Pai, E.F. | Deposit date: | 2013-04-17 | Release date: | 2013-05-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystal structure of the C136(42)A/C141(47)A double mutant of Tn501 MerA in complex with NADP and Hg2+ To be Published
|
|
4EXG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4exg by Molmil](/molmil-images/mine/4exg) | Design and synthesis of potent hydroxyethylamine (hea) bace-1 inhibitors | Descriptor: | Beta-secretase 1, N-[(2S,3R)-4-{[(4S)-6-(2,2-dimethylpropyl)-2,2-dimethyl-3,4-dihydro-2H-thieno[2,3-b]pyran-4-yl]amino}-3-hydroxy-1-phenylbutan-2-yl]acetamide | Authors: | Borkakoti, N, Lindberg, J, Derbyshire, D. | Deposit date: | 2012-04-30 | Release date: | 2012-10-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design and synthesis of potent hydroxyethylamine (HEA) BACE-1 inhibitors carrying prime side 4,5,6,7-tetrahydrobenzazole and 4,5,6,7-tetrahydropyridinoazole templates. Bioorg.Med.Chem.Lett., 22, 2012
|
|
4EJ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ej6 by Molmil](/molmil-images/mine/4ej6) | |
4K5O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4k5o by Molmil](/molmil-images/mine/4k5o) | |
4EKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eka by Molmil](/molmil-images/mine/4eka) | Final Thaumatin Structure for Radiation Damage Experiment at 25 K | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | Authors: | Warkentin, M, Badeau, R, Hopkins, J.B, Thorne, R.E. | Deposit date: | 2012-04-09 | Release date: | 2012-08-29 | Last modified: | 2013-01-23 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Spatial distribution of radiation damage to crystalline proteins at 25-300 K. Acta Crystallogr.,Sect.D, 68, 2012
|
|
4KAJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4kaj by Molmil](/molmil-images/mine/4kaj) | X-Ray Structure of the complex of Haloalkane dehalogenase HaloTag7 with HALTS, Northeast Structural Genomics Consortium (NESG) Target OR151 | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, MANGANESE (II) ION, ... | Authors: | Kuzin, A, Lew, S, Neklesa, T.K, Noblin, D, Seetharaman, J, Maglaqui, M, Xiao, R, Kohan, E, Wang, H, Everett, J.K, Acton, T.B, Kornhaber, G, Montelione, G.T, Crews, C.M, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2013-04-22 | Release date: | 2013-06-05 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.948 Å) | Cite: | Northeast Structural Genomics Consortium Target OR151 To be Published
|
|
4E83
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e83 by Molmil](/molmil-images/mine/4e83) | |
4EWC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ewc by Molmil](/molmil-images/mine/4ewc) | |
4NE3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ne3 by Molmil](/molmil-images/mine/4ne3) | Human MHF1-MHF2 complex | Descriptor: | Centromere protein S, Centromere protein X | Authors: | Zhao, Q, Saro, D, Sachpatzidis, A, Sung, P, Xiong, Y. | Deposit date: | 2013-10-28 | Release date: | 2013-12-25 | Last modified: | 2014-02-12 | Method: | X-RAY DIFFRACTION (1.8007 Å) | Cite: | The MHF complex senses branched DNA by binding a pair of crossover DNA duplexes. Nat Commun, 5, 2014
|
|
4NOF
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nof by Molmil](/molmil-images/mine/4nof) | Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor [PSI-NYSGRC-006220] | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Polymeric immunoglobulin receptor | Authors: | Sampathkumar, P, Kumar, P.R, Ahmed, M, Banu, R, Bhosle, R, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chowdhury, S, Fiser, A, Garforth, S.J, Glenn, A.S, Hillerich, B, Khafizov, K, Attonito, J, Love, J.D, Patel, H, Patel, R, Seidel, R.D, Smith, B, Stead, M, Casadevall, A, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN) | Deposit date: | 2013-11-19 | Release date: | 2013-12-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the second Ig domain from mouse Polymeric Immunoglobulin receptor to be published
|
|
4E82
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4e82 by Molmil](/molmil-images/mine/4e82) | |
4EIS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eis by Molmil](/molmil-images/mine/4eis) | Structural basis for substrate targeting and catalysis by fungal polysaccharide monooxygenases (PMO-3) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, PEROXIDE ION, ... | Authors: | Li, X, Beeson, W.T, Phillips, C.M, Marletta, M.A, Cate, J.H. | Deposit date: | 2012-04-05 | Release date: | 2012-05-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Structural basis for substrate targeting and catalysis by fungal polysaccharide monooxygenases. Structure, 20, 2012
|
|
4EAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4eal by Molmil](/molmil-images/mine/4eal) | Co-crystal of AMPK core with ATP soaked with AMP | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Chen, L, Wang, J, Zhang, Y.-Y, Yan, S.F, Neumann, D, Schlattner, U, Wang, Z.-X, Wu, J.-W. | Deposit date: | 2012-03-22 | Release date: | 2012-06-06 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.506 Å) | Cite: | AMP-activated protein kinase undergoes nucleotide-dependent conformational changes Nat.Struct.Mol.Biol., 19, 2012
|
|
4NM1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4nm1 by Molmil](/molmil-images/mine/4nm1) | Structure of human DNA polymerase beta complexed with a nicked DNA containing a 8BrG-C at N-1 position and G-C at N position | Descriptor: | 5'-D(*CP*CP*GP*AP*CP*GP*(BGM)P*CP*GP*CP*AP*TP*CP*AP*GP*C)-3', 5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*CP*C)-3', 5'-D(P*GP*TP*CP*GP*G)-3', ... | Authors: | Koag, M.-C, Min, K, Monzingo, A.F, Lee, S. | Deposit date: | 2013-11-14 | Release date: | 2014-01-22 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.415 Å) | Cite: | Structural basis for promutagenicity of 8-halogenated Guanine. J.Biol.Chem., 289, 2014
|
|