5AL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5al9 by Molmil](/molmil-images/mine/5al9) | Structure of Leishmania major peroxidase D211R mutant (high res) | Descriptor: | ASCORBATE PEROXIDASE, CALCIUM ION, POTASSIUM ION, ... | Authors: | Chreifi, G, Hollingsworth, S.A, Li, H, Tripathi, S, Arce, A.P, Magana-Garcia, H.I, Poulos, T.L. | Deposit date: | 2015-03-07 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Enzymatic Mechanism of Leishmania major Peroxidase and the Critical Role of Specific Ionic Interactions. Biochemistry, 54, 2015
|
|
4ZZY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4zzy by Molmil](/molmil-images/mine/4zzy) | Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor | Descriptor: | 2-[1-(4,4-Difluorocyclohexyl)-piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide, POLY [ADP-RIBOSE] POLYMERASE 2 | Authors: | Casale, E, Fasolini, M, Papeo, G, Posteri, H, Borghi, D, Busel, A.A, Caprera, F, Ciomei, M, Cirla, A, Corti, E, DAnello, M, Fasolini, M, Felder, E.R, Forte, B, Galvani, A, Isacchi, A, Khvat, A, Krasavin, M.Y, Lupi, R, Orsini, P, Perego, R, Pesenti, E, Pezzetta, D, Rainoldi, S, RiccardiSirtori, F, Scolaro, A, Sola, F, Zuccotto, F, Donati, D, Montagnoli, A. | Deposit date: | 2015-04-15 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Discovery of 2-[1-(4,4-Difluorocyclohexyl)Piperidin-4-Yl]-6-Fluoro-3-Oxo-2,3-Dihydro-1H-Isoindole-4-Carboxamide (Nms-P118): A Potent, Orally Available and Highly Selective Parp- 1 Inhibitor for Cancer Therapy. J.Med.Chem., 58, 2015
|
|
4RG2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rg2 by Molmil](/molmil-images/mine/4rg2) | Tudor Domain of Tumor suppressor p53BP1 with small molecule ligand | Descriptor: | 1,2-ETHANEDIOL, 3-bromo-N-[3-(tert-butylamino)propyl]benzamide, Tumor suppressor p53-binding protein 1, ... | Authors: | Dong, A, Mader, P, James, L, Perfetti, M, Tempel, W, Frye, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-09-29 | Release date: | 2014-10-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Identification of a fragment-like small molecule ligand for the methyl-lysine binding protein, 53BP1. ACS Chem. Biol., 10, 2015
|
|
4RGY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rgy by Molmil](/molmil-images/mine/4rgy) | |
4AKQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4akq by Molmil](/molmil-images/mine/4akq) | Mutations in the neighbourhood of CotA-laccase trinuclear site: E498D mutant | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, OXYGEN MOLECULE, ... | Authors: | Silva, C.S, Chen, Z, Durao, P, Pereira, M.M, Todorovic, S, Hildebrandt, P, Martins, L.O, Lindley, P.F, Bento, I. | Deposit date: | 2012-02-28 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Role of Glu498 in the Dioxygen Reactivity of Cota-Laccase from Bacillus Subtilis. Dalton Trans, 39, 2010
|
|
5DFS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dfs by Molmil](/molmil-images/mine/5dfs) | Crystal structure of Spider Monkey Cytochrome C at 1.15 Angstrom | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Cytochrome c, ... | Authors: | MOU, T.C, McClelland, L.J, Jeakins-Cooley, M.E, Goldes, M.E, SPRANG, S.R, BOWLER, B.E. | Deposit date: | 2015-08-27 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Disruption of a hydrogen bond network in human versus spider monkey cytochrome c affects heme crevice stability. J.Inorg.Biochem., 158, 2016
|
|
4OCY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ocy by Molmil](/molmil-images/mine/4ocy) | Fab for methotrexate (unbound apo) | Descriptor: | Fab ADD058 Heavy Chain, Fab ADD058 Light Chain | Authors: | Longenecker, K.L, Judge, R.A, Gayda, S, Manoj, S, Saldana, S, Ruan, Q, Swift, K, Tetin, S. | Deposit date: | 2014-01-09 | Release date: | 2014-07-02 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Water channel in the binding site of a high affinity anti-methotrexate antibody. Biochemistry, 53, 2014
|
|
5BON
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bon by Molmil](/molmil-images/mine/5bon) | Crystal structure of human Nudt15 (MTH2) | Descriptor: | MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15 | Authors: | Carter, M, Jemth, A.-S, Helleday, T, Stenmark, P. | Deposit date: | 2015-05-27 | Release date: | 2015-08-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.799 Å) | Cite: | Crystal structure, biochemical and cellular activities demonstrate separate functions of MTH1 and MTH2. Nat Commun, 6, 2015
|
|
5BOY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5boy by Molmil](/molmil-images/mine/5boy) | |
4L9I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4l9i by Molmil](/molmil-images/mine/4l9i) | |
4RMS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rms by Molmil](/molmil-images/mine/4rms) | |
4RVA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rva by Molmil](/molmil-images/mine/4rva) | A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for deacylation | Descriptor: | BICARBONATE ION, Beta-lactamase TEM | Authors: | Stojanoski, V, Chow, D.-C, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2014-11-25 | Release date: | 2015-03-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.4397 Å) | Cite: | A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis. J.Biol.Chem., 290, 2015
|
|
3UW4
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uw4 by Molmil](/molmil-images/mine/3uw4) | Crystal structure of cIAP1 BIR3 bound to GDC0152 | Descriptor: | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 4, GDC0152, ... | Authors: | Maurer, B, Hymowitz, S. | Deposit date: | 2011-11-30 | Release date: | 2012-02-22 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
|
|
5AMS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ams by Molmil](/molmil-images/mine/5ams) | Crystal structure of Sqt1 | Descriptor: | RIBOSOME ASSEMBLY PROTEIN SQT1 | Authors: | Frenois, F, Legrand, P, Fribourg, S. | Deposit date: | 2015-08-31 | Release date: | 2016-01-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Sqt1P is an Eight-Bladed Wd40 Protein Acta Crystallogr.,Sect.F, 72, 2016
|
|
3UW5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3uw5 by Molmil](/molmil-images/mine/3uw5) | Crystal structure of the BIR domain of MLIAP bound to GDC0152 | Descriptor: | Baculoviral IAP repeat-containing protein 7, Baculoviral IAP repeat-containing protein 4, GDC-0152, ... | Authors: | Maurer, B, Hymowitz, S.G. | Deposit date: | 2011-11-30 | Release date: | 2012-02-22 | Last modified: | 2017-08-02 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Discovery of a Potent Small-Molecule Antagonist of Inhibitor of Apoptosis (IAP) Proteins and Clinical Candidate for the Treatment of Cancer (GDC-0152). J.Med.Chem., 55, 2012
|
|
3VB7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vb7 by Molmil](/molmil-images/mine/3vb7) | Crystal structure of SARS-CoV 3C-like protease with M4Z | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, GLYCEROL, ... | Authors: | Chuck, C.P, Wong, K.B. | Deposit date: | 2011-12-31 | Release date: | 2012-12-12 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases Eur.J.Med.Chem., 59C, 2012
|
|
5CQU
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cqu by Molmil](/molmil-images/mine/5cqu) | Monoclinic Complex Structure of Protein Kinase CK2 Catalytic Subunit with a Benzotriazole-Based Inhibitor Generated by click-chemistry | Descriptor: | 4-[4-[2-[4,5,6,7-tetrakis(bromanyl)benzotriazol-2-yl]ethyl]-1,2,3-triazol-1-yl]butan-1-amine, Casein kinase II subunit alpha, GLYCEROL, ... | Authors: | Niefind, K, Schnitzler, A, Swider, R, Maslyk, M, Ramos, A. | Deposit date: | 2015-07-22 | Release date: | 2015-09-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Synthesis, Biological Activity and Structural Study of New Benzotriazole-Based Protein Kinase CK2 Inhibitors Rsc Adv, 5, 2015
|
|
3VB3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3vb3 by Molmil](/molmil-images/mine/3vb3) | Crystal structure of SARS-CoV 3C-like protease in apo form | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, DI(HYDROXYETHYL)ETHER | Authors: | Chuck, C.P, Wong, K.B. | Deposit date: | 2011-12-31 | Release date: | 2012-12-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design, synthesis and crystallographic analysis of nitrile-based broad-spectrum peptidomimetic inhibitors for coronavirus 3C-like proteases Eur.J.Med.Chem., 59C, 2012
|
|
4A3U
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4a3u by Molmil](/molmil-images/mine/4a3u) | |
4AKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4akp by Molmil](/molmil-images/mine/4akp) | Mutations in the neighbourhood of CotA-laccase trinuclear site: E498T mutant | Descriptor: | 1,2-ETHANEDIOL, COPPER (II) ION, OXYGEN MOLECULE, ... | Authors: | Silva, C.S, Chen, Z, Durao, P, Pereira, M.M, Todorovic, S, Hildebrandt, P, Martins, L.O, Lindley, P.F, Bento, I. | Deposit date: | 2012-02-28 | Release date: | 2012-03-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Role of Glu498 in the Dioxygen Reactivity of Cota-Laccase from Bacillus Subtilis. Dalton Trans, 39, 2010
|
|
5BOT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5bot by Molmil](/molmil-images/mine/5bot) | |
4RMR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rmr by Molmil](/molmil-images/mine/4rmr) | |
4RX2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rx2 by Molmil](/molmil-images/mine/4rx2) | A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis | Descriptor: | Beta-lactamase TEM, SULFATE ION | Authors: | Stojanoski, V, Chow, D, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T. | Deposit date: | 2014-12-08 | Release date: | 2015-03-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.315 Å) | Cite: | A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis. J.Biol.Chem., 290, 2015
|
|
4RMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4rmq by Molmil](/molmil-images/mine/4rmq) | |
5CP3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5cp3 by Molmil](/molmil-images/mine/5cp3) | Crystal Structure of an Antigen-Binding Fragment of Monoclonal Antibody against Sulfonamides in Complex with Sulfathiazole | Descriptor: | 4-amino-N-(1,3-thiazol-2-yl)benzenesulfonamide, CALCIUM ION, GLYCEROL, ... | Authors: | Wang, Z, Shen, J, Li, C, Li, Y, Wen, K, Yu, X, Zhang, X. | Deposit date: | 2015-07-21 | Release date: | 2015-08-05 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Class-specific Monoclonal Antibodies and Dihydropteroate Synthase in Bioassays used for the Detection of Sulfonamides: Structural Insights into Recognition Diversity. Anal. Chem., 91, 2019
|
|