7PPX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7ppx by Molmil](/molmil-images/mine/7ppx) | ATAD2 in complex with FragLite3 | Descriptor: | 1,2-ETHANEDIOL, 4-bromanyl-1,2-oxazole, ATPase family AAA domain-containing protein 2, ... | Authors: | Turberville, S, Martin, M.P, Hope, I, Wood, D.J, Ng, Y.M, Heath, R, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2021-09-15 | Release date: | 2022-09-21 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Mapping Ligand Interactions of Bromodomains BRD4 and ATAD2 with FragLites and PepLites─Halogenated Probes of Druglike and Peptide-like Molecular Interactions. J.Med.Chem., 65, 2022
|
|
7PJO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pjo by Molmil](/molmil-images/mine/7pjo) | |
1FQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fq5 by Molmil](/molmil-images/mine/1fq5) | X-ray structure of a cyclic statine inhibitor PD-129,541 bound to yeast proteinase A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 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, SACCHAROPEPSIN, ... | Authors: | Cronin, N.B, Badasso, M.O, Tickle, I.J, Dreyer, T, Hoover, D.J, Rosati, R.L, Humblet, C.C, Lunney, E.A, Cooper, J.B. | Deposit date: | 2000-09-03 | Release date: | 2000-09-20 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray structures of five renin inhibitors bound to saccharopepsin: exploration of active-site specificity. J.Mol.Biol., 303, 2000
|
|
5IK5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ik5 by Molmil](/molmil-images/mine/5ik5) | Laminin A2LG45 C-form, G6/7 bound. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-hydroxy-4-methyl-2H-chromen-2-one, CALCIUM ION, ... | Authors: | Briggs, D.C, Hohenester, E, Campbell, K.P. | Deposit date: | 2016-03-03 | Release date: | 2016-08-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural basis of laminin binding to the LARGE glycans on dystroglycan. Nat.Chem.Biol., 12, 2016
|
|
1TA6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ta6 by Molmil](/molmil-images/mine/1ta6) | Crystal structure of thrombin in complex with compound 14b | Descriptor: | 1-[2-AMINO-2-CYCLOHEXYL-ACETYL]-PYRROLIDINE-3-CARBOXYLIC ACID 5-CHLORO-2-(2-ETHYLCARBAMOYL-ETHOXY)-BENZYLAMIDE, Hirudin, thrombin | Authors: | Tucker, T.J, Brady, S.F, Lumma, W.C, Lewis, S.D, Gardel, S.J, Naylor-Olsen, A.M, Yan, Y, Sisko, J.T, Stauffer, K.J, Lucas, B.Y, Lynch, J.J, Cook, J.J, Stranieri, M.T, Holahan, M.A, Lyle, E.A, Baskin, E.P, Chen, I.-W, Dancheck, K.B, Krueger, J.A, Cooper, C.M, Vacca, J.P. | Deposit date: | 2004-05-19 | Release date: | 2004-06-08 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and synthesis of a series of potent and orally bioavailable
noncovalent thrombin inhibitors that utilize nonbasic groups in the P1 position J.Med.Chem., 41, 1998
|
|
6UE5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6ue5 by Molmil](/molmil-images/mine/6ue5) | Crystal structure of full-length human DCAF15-DDB1-deltaPBP-DDA1-RBM39 in complex with 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzenesulfonamide | Descriptor: | 4-(aminomethyl)-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ... | Authors: | Knapp, M.S, Shu, W, Xie, L, Bussiere, D.E. | Deposit date: | 2019-09-20 | Release date: | 2019-12-18 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | Structural basis of indisulam-mediated RBM39 recruitment to DCAF15 E3 ligase complex. Nat.Chem.Biol., 16, 2020
|
|
7Q5D
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q5d by Molmil](/molmil-images/mine/7q5d) | Structure of EPCR in a non-canonical conformation | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Endothelial protein C receptor, ... | Authors: | Lopez-Sagaseta, J, Erausquin, E. | Deposit date: | 2021-11-03 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of EPCR in a non-canonical conformation Biorxiv, 2021
|
|
1J5J
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1j5j by Molmil](/molmil-images/mine/1j5j) | Solution structure of HERG-specific scorpion toxin BeKm-1 | Descriptor: | BeKm-1 toxin | Authors: | Korolokova, Y.V, Bocharov, E.V, Angelo, K, Maslennikov, I.V, Grinenko, O.V, Lipkin, A.V, Nosireva, E.D, Pluzhnikov, K.A, Olesen, S.-P, Arseniev, A.S, Grishin, E.V. | Deposit date: | 2002-04-16 | Release date: | 2002-11-20 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | New binding site on common molecular scaffold provides HERG channel specificity of scorpion toxin BeKm-1. J.Biol.Chem., 277, 2002
|
|
1FI2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1fi2 by Molmil](/molmil-images/mine/1fi2) | CRYSTAL STRUCTURE OF GERMIN (OXALATE OXIDASE) | Descriptor: | MANGANESE (II) ION, OXALATE OXIDASE | Authors: | Woo, E.J, Dunwell, J.M, Goodenough, P.W, Marvier, A.C, Pickersgill, R.W. | Deposit date: | 2000-08-03 | Release date: | 2001-05-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Germin is a manganese containing homohexamer with oxalate oxidase and superoxide dismutase activities. Nat.Struct.Biol., 7, 2000
|
|
4D2W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4d2w by Molmil](/molmil-images/mine/4d2w) | Structure of MELK in complex with inhibitors | Descriptor: | 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | Deposit date: | 2014-05-13 | Release date: | 2014-10-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase Acs Med.Chem.Lett., 6, 2015
|
|
1J6W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1j6w by Molmil](/molmil-images/mine/1j6w) | CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE LUXS | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | Deposit date: | 2001-05-14 | Release date: | 2001-06-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs. Structure, 9, 2001
|
|
5F31
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f31 by Molmil](/molmil-images/mine/5f31) | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P 42 21 2 space group | Descriptor: | ETHANOL, PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase, ... | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | Deposit date: | 2015-12-02 | Release date: | 2016-03-09 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
|
|
1F7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1f7r by Molmil](/molmil-images/mine/1f7r) | CRYSTAL STRUCTURES OF FELINE IMMUNODEFICIENCY VIRUS DUTP PYROPHOSPHATASE AND ITS NUCLEOTIDE COMPLEXES IN THREE CRYSTAL FORMS. | Descriptor: | MAGNESIUM ION, POL POLYPROTEIN, URIDINE-5'-DIPHOSPHATE | Authors: | Prasad, G.S, Stura, E.A, Elder, J.H, Stout, C.D. | Deposit date: | 2000-06-27 | Release date: | 2000-09-06 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structures of feline immunodeficiency virus dUTP pyrophosphatase and its nucleotide complexes in three crystal forms. Acta Crystallogr.,Sect.D, 56, 2000
|
|
2N34
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2n34 by Molmil](/molmil-images/mine/2n34) | NMR assignments and solution structure of the JAK interaction region of SOCS5 | Descriptor: | Suppressor of cytokine signaling 5 | Authors: | Chandrashekaran, I.R, Mohanty, B, Linossi, E.M, Nicholson, S.E, Babon, J, Norton, R.S, Dagley, L.F, Leung, E.W.W, Murphy, J.M. | Deposit date: | 2015-05-21 | Release date: | 2015-07-29 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure and Functional Characterization of the Conserved JAK Interaction Region in the Intrinsically Disordered N-Terminus of SOCS5. Biochemistry, 54, 2015
|
|
7Q4C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7q4c by Molmil](/molmil-images/mine/7q4c) | Local refinement structure of the C-domain of full-length, monomeric, soluble somatic angiotensin I-converting enzyme | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ... | Authors: | Lubbe, L, Sewell, B.T, Sturrock, E.D. | Deposit date: | 2021-10-30 | Release date: | 2022-07-20 | Last modified: | 2022-08-24 | Method: | ELECTRON MICROSCOPY (4.08 Å) | Cite: | Cryo-EM reveals mechanisms of angiotensin I-converting enzyme allostery and dimerization. Embo J., 41, 2022
|
|
2MYH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2myh by Molmil](/molmil-images/mine/2myh) | Omega-Tbo-IT1: selective inhibitor of insect calcium channels isolated from Tibellus oblongus spider venom | Descriptor: | Omega-Tbo-IT1 toxin | Authors: | Altukhov, D, Bozin, T, Bocharov, E, Kozlov, S, Mikov, A. | Deposit date: | 2015-01-23 | Release date: | 2015-12-09 | Method: | SOLUTION NMR | Cite: | omega-Tbo-IT1-New Inhibitor of Insect Calcium Channels Isolated from Spider Venom. Sci Rep, 5, 2015
|
|
5F2Z
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5f2z by Molmil](/molmil-images/mine/5f2z) | Crystal structure of membrane associated PatA from Mycobacterium smegmatis in complex with palmitate - P21 space group | Descriptor: | PALMITIC ACID, Phosphatidylinositol mannoside acyltransferase | Authors: | Albesa-Jove, D, Svetlikova, Z, Carreras-Gonzalez, A, Tersa, M, Sancho-Vaello, E, Cifuente, J.O, Mikusova, K, Guerin, M.E. | Deposit date: | 2015-12-02 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis for selective recognition of acyl chains by the membrane-associated acyltransferase PatA. Nat Commun, 7, 2016
|
|
4Q0L
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4q0l by Molmil](/molmil-images/mine/4q0l) | Crystal structure of catalytic domain of human carbonic anhydrase isozyme XII with inhibitor | Descriptor: | 3-(cyclooctylamino)-2,5,6-trifluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide, Carbonic anhydrase 12, ZINC ION | Authors: | Smirnov, A, Manakova, E, Grazulis, S. | Deposit date: | 2014-04-02 | Release date: | 2015-01-28 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J.Med.Chem., 57, 2014
|
|
5IFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ifj by Molmil](/molmil-images/mine/5ifj) | Crystal structure of anti-gliadin 1002-1E01 Fab fragment in complex of peptide PLQPEQPFP | Descriptor: | 1E01 Fab fragment heavy chain, 1E01 Fab fragment light chain, SULFATE ION, ... | Authors: | Snir, O, Chen, X, Gidoni, M, du Pre, M.F, Zhao, Y, Steinsbo, O, Lundin, K.E, Yaari, G, Sollid, L.M. | Deposit date: | 2016-02-26 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Stereotyped antibody responses target posttranslationally modified gluten in celiac disease. JCI Insight, 2, 2017
|
|
6U4B
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6u4b by Molmil](/molmil-images/mine/6u4b) | WbbM bifunctional glycosytransferase apo structure | Descriptor: | MAGNESIUM ION, WbbM protein | Authors: | Kimber, M.S, Mallette, E, Kamski-Hennekam, E.R, Gitalis, R. | Deposit date: | 2019-08-25 | Release date: | 2020-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | A bifunctional O-antigen polymerase structure reveals a new glycosyltransferase family. Nat.Chem.Biol., 16, 2020
|
|
7PDW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7pdw by Molmil](/molmil-images/mine/7pdw) | Crystal structure of parent TCR (728) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide | Descriptor: | Beta-2-microglobulin, GLYCEROL, MHC class I antigen, ... | Authors: | Simister, P.C, Border, E.C, Vieira, J.F, Pumphrey, N.J. | Deposit date: | 2021-08-09 | Release date: | 2022-08-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structural insights into engineering a T-cell receptor targeting MAGE-A10 with higher affinity and specificity for cancer immunotherapy. J Immunother Cancer, 10, 2022
|
|
5IH8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5ih8 by Molmil](/molmil-images/mine/5ih8) | MELK in complex with NVS-MELK1 | Descriptor: | Maternal embryonic leucine zipper kinase, N-[(pyridin-2-yl)methyl]-4-[4-(pyridin-4-yl)-1H-pyrazol-1-yl]benzamide | Authors: | Sprague, E.R, Puleo, D.E. | Deposit date: | 2016-02-29 | Release date: | 2016-06-01 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J.Med.Chem., 59, 2016
|
|
1F88
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1f88 by Molmil](/molmil-images/mine/1f88) | CRYSTAL STRUCTURE OF BOVINE RHODOPSIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MERCURY (II) ION, RETINAL, ... | Authors: | Okada, T, Palczewski, K, Stenkamp, R.E, Miyano, M. | Deposit date: | 2000-06-29 | Release date: | 2000-08-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure of rhodopsin: A G protein-coupled receptor. Science, 289, 2000
|
|
7SKN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7skn by Molmil](/molmil-images/mine/7skn) | |
6XQ6
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6xq6 by Molmil](/molmil-images/mine/6xq6) | Receptor for Advanced Glycation End Products VC1 domain in complex with Fragment 11 | Descriptor: | 3-phenoxyphenol, ACETATE ION, Advanced glycosylation end product-specific receptor, ... | Authors: | Salay, L.E, Kozlyuk, N, Gilston, B.A, Gogliotti, R.D, Christov, P.P, Kim, K, Ovee, M, Waterson, A.G, Chazin, W.J. | Deposit date: | 2020-07-09 | Release date: | 2021-07-14 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A fragment-based approach to discovery of Receptor for Advanced Glycation End products inhibitors. Proteins, 89, 2021
|
|