6VBX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6vbx by Molmil](/molmil-images/mine/6vbx) | Crystal structure of Mcl-1 in complex with 138E12 peptide, Lys-covalent antagonist | Descriptor: | Induced myeloid leukemia cell differentiation protein Mcl-1, Synthetic peptide | Authors: | Pellecchia, M, Perry, J.J, Kenjic, N, Assar, Z. | Deposit date: | 2019-12-19 | Release date: | 2020-12-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design, Synthesis, and Structural Characterization of Lysine Covalent BH3 Peptides Targeting Mcl-1. J.Med.Chem., 64, 2021
|
|
6V97
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v97 by Molmil](/molmil-images/mine/6v97) | Kindlin-3 double deletion mutant short form | Descriptor: | Fermitin family homolog 3 | Authors: | Xu, Z, Zhang, T.L, Xu, Z, Sun, J.J, Ding, J.P, Ma, Y.Q. | Deposit date: | 2019-12-13 | Release date: | 2020-07-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.381 Å) | Cite: | Structure basis of the FERM domain of kindlin-3 in supporting integrin alpha IIb beta 3 activation in platelets. Blood Adv, 4, 2020
|
|
6V9G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6v9g by Molmil](/molmil-images/mine/6v9g) | Kindlin-3 double deletion mutant long form | Descriptor: | Fermitin family homolog 3 | Authors: | Xu, Z, Zhang, T.L, Xu, Z, Sun, J.J, Ding, J.P, Ma, Y.Q. | Deposit date: | 2019-12-13 | Release date: | 2020-07-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure basis of the FERM domain of kindlin-3 in supporting integrin alpha IIb beta 3 activation in platelets. Blood Adv, 4, 2020
|
|
2M7R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2m7r by Molmil](/molmil-images/mine/2m7r) | Nmda receptor antagonist, conantokin bk-b, nmr, 20 structure | Descriptor: | CONANTOKIN BK-B | Authors: | Curtice, K.J, Platt, R.J, Skalicky, J.J, Horvath, M.P, Twede, V.D. | Deposit date: | 2013-04-29 | Release date: | 2014-02-19 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | From molecular phylogeny towards differentiating pharmacology for NMDA receptor subtypes. Toxicon, 81C, 2014
|
|
2MAG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2mag by Molmil](/molmil-images/mine/2mag) | NMR STRUCTURE OF MAGAININ 2 IN DPC MICELLES, 10 STRUCTURES | Descriptor: | MAGAININ 2 | Authors: | Gesell, J.J, Zasloff, M, Opella, S.J. | Deposit date: | 1997-12-19 | Release date: | 1998-04-08 | Last modified: | 2024-06-05 | Method: | SOLUTION NMR | Cite: | Two-dimensional 1H NMR experiments show that the 23-residue magainin antibiotic peptide is an alpha-helix in dodecylphosphocholine micelles, sodium dodecylsulfate micelles, and trifluoroethanol/water solution. J.Biomol.NMR, 9, 1997
|
|
3RCZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rcz by Molmil](/molmil-images/mine/3rcz) | Rad60 SLD2 Ubc9 Complex | Descriptor: | DNA repair protein rad60, SUMO-conjugating enzyme ubc9 | Authors: | Perry, J.J.P, Arvai, A.S, Tainer, J.A. | Deposit date: | 2011-03-31 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | DNA repair and global sumoylation are regulated by distinct Ubc9 noncovalent complexes. Mol.Cell.Biol., 31, 2011
|
|
1FLC
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1flc by Molmil](/molmil-images/mine/1flc) | X-RAY STRUCTURE OF THE HAEMAGGLUTININ-ESTERASE-FUSION GLYCOPROTEIN OF INFLUENZA C VIRUS | Descriptor: | HAEMAGGLUTININ-ESTERASE-FUSION GLYCOPROTEIN, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Rosenthal, P.B, Zhang, X, Formanowski, F, Fitz, W, Wong, C.H, Meier-Ewert, H, Skehel, J.J, Wiley, D.C. | Deposit date: | 1999-02-22 | Release date: | 2000-03-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of the haemagglutinin-esterase-fusion glycoprotein of influenza C virus. Nature, 396, 1998
|
|
3CIK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3cik by Molmil](/molmil-images/mine/3cik) | Human GRK2 in Complex with Gbetagamma subunits | Descriptor: | Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Tesmer, J.J.G, Lodowski, D.T. | Deposit date: | 2008-03-11 | Release date: | 2009-02-17 | Last modified: | 2012-03-07 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Structure of human G protein-coupled receptor kinase 2 in complex with the kinase inhibitor balanol. J.Med.Chem., 53, 2010
|
|
6C2Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6c2y by Molmil](/molmil-images/mine/6c2y) | Human GRK2 in complex with Gbetagamma subunits and CCG257142 | Descriptor: | (4R,5R,6S)-4-[4-fluoro-3-({[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl}carbamoyl)phenyl]-N-(2H-indazol-5-yl)-6-methyl-2-oxohexahydropyrimidine-5-carboxamide, Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Bouley, R, Tesmer, J.J.G. | Deposit date: | 2018-01-09 | Release date: | 2018-04-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Utilizing a structure-based docking approach to develop potent G protein-coupled receptor kinase (GRK) 2 and 5 inhibitors. Bioorg. Med. Chem. Lett., 28, 2018
|
|
6BNM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bnm by Molmil](/molmil-images/mine/6bnm) | Crystal Structure of the P-Rex2 PH domain | Descriptor: | CHLORIDE ION, Phosphatidylinositol 3,4,5-trisphosphate-dependent Rac exchanger 2 protein | Authors: | Cash, J.N, Sharma, P.V, Tesmer, J.J.G. | Deposit date: | 2017-11-17 | Release date: | 2018-11-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and biochemical characterization of the pleckstrin homology domain of the RhoGEF P-Rex2 and its regulation by PIP3. J.Struct.Biol., 1, 2019
|
|
6UMQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6umq by Molmil](/molmil-images/mine/6umq) | Structure of DUF89 | Descriptor: | Damage-control phosphatase DUF89, MAGNESIUM ION | Authors: | Perry, J.J, Kenjic, N, Dennis, T.N. | Deposit date: | 2019-10-10 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Human ARMT1 structure and substrate specificity indicates that it is a DUF89 family damage-control phosphatase. J.Struct.Biol., 212, 2020
|
|
6BOE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6boe by Molmil](/molmil-images/mine/6boe) | TBK1 in complex with amide-coupled tetrazole analog of amlexanox | Descriptor: | 2-amino-5-oxo-7-(propan-2-yl)-N-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxamide, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2017-11-19 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.598 Å) | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
|
|
3T8O
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3t8o by Molmil](/molmil-images/mine/3t8o) | Rhodopsin kinase (GRK1) L166K mutant at 2.5A resolution | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | Authors: | Tesmer, J.J.G, Singh, P, Nance, M.R. | Deposit date: | 2011-08-01 | Release date: | 2012-06-06 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of a monomeric variant of rhodopsin kinase at 2.5 A resolution. Acta Crystallogr.,Sect.F, 68, 2012
|
|
6UMR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6umr by Molmil](/molmil-images/mine/6umr) | Structure of DUF89 - D291A mutant | Descriptor: | Damage-control phosphatase DUF89, MAGNESIUM ION | Authors: | Perry, J.J, Kenjic, N, Dennis, T.N. | Deposit date: | 2019-10-10 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Human ARMT1 structure and substrate specificity indicates that it is a DUF89 family damage-control phosphatase. J.Struct.Biol., 212, 2020
|
|
3FTL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ftl by Molmil](/molmil-images/mine/3ftl) | |
3RCJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rcj by Molmil](/molmil-images/mine/3rcj) | Rapid preparation of triazolyl substituted NH-heterocyclic kinase inhibitors via one-pot Sonogashira coupling TMS-deprotection CuAAC sequence | Descriptor: | 3-(1-benzyl-1H-1,2,3-triazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, 3-phosphoinositide-dependent protein kinase 1 | Authors: | Graedler, U, Dorsch, D, Merkul, E, Klukas, F, Sirrenberg, C, Greiner, H.E, Mueller, T.J.J. | Deposit date: | 2011-03-31 | Release date: | 2011-06-15 | Last modified: | 2012-12-05 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Rapid preparation of triazolyl substituted NH-heterocyclic kinase inhibitors via one-pot Sonogashira coupling-TMS-deprotection-CuAAC sequence. Org.Biomol.Chem., 9, 2011
|
|
3RD2
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3rd2 by Molmil](/molmil-images/mine/3rd2) | NIP45 SUMO-like Domain 2 | Descriptor: | NFATC2-interacting protein | Authors: | Perry, J.J.P, Arvai, A.S, Tainer, J.A. | Deposit date: | 2011-03-31 | Release date: | 2011-04-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | DNA repair and global sumoylation are regulated by distinct Ubc9 noncovalent complexes. Mol.Cell.Biol., 31, 2011
|
|
3FR1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fr1 by Molmil](/molmil-images/mine/3fr1) | |
6BOD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bod by Molmil](/molmil-images/mine/6bod) | TBK1 in complex with ethyl ester analog of amlexanox | Descriptor: | Serine/threonine-protein kinase TBK1, ethyl 2-amino-5-oxo-7-(propan-2-yl)-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2017-11-19 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.197 Å) | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
|
|
6BNS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bns by Molmil](/molmil-images/mine/6bns) | STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC co-activator peptide and Compound 25a AKA BICYCLIC HEXAFLUOROISOPROPYL 2 ALCOHOL SULFONAMIDES | Descriptor: | 2-[(2S)-4-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,4-dihydro-2H-1,4-benzothiazin-2-yl]-N-(2-hydroxy-2-methylpropyl)acetamide, Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 Chimera | Authors: | DHAR, T.G, GONG, H, WEINSTEIN, D.S, LU, Z, DUAN, J.J.W, STACHURA, S, HAQUE, L, KARMAKAR, A, HEMAGIRI, H, RAUT, D.K, GUPTA, A.K, KHAN, J.A, SACK, J.S, CAMAC, D.M, PUDZIANOWSKI, A.A, WU, D.R, YARDE, M, SHEN, D.R, BOROWSKI, V, XIE, J.H, SUN, H, ARIENZO, C.D, DABROS, M, GALELLA, M.A, WANG, F, WEIGELT, C.A, ZHAO, Q, FOSTER, W, SOMERVILLE, J.E, SALTER-CID, L.M, BARRISH, J.C, CARTER, P.H. | Deposit date: | 2017-11-17 | Release date: | 2017-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.56 Å) | Cite: | Identification of bicyclic hexafluoroisopropyl alcohol sulfonamides as retinoic acid receptor-related orphan receptor gamma (ROR gamma /RORc) inverse agonists. Employing structure-based drug design to improve pregnane X receptor (PXR) selectivity. Bioorg. Med. Chem. Lett., 28, 2018
|
|
6BNY
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6bny by Molmil](/molmil-images/mine/6bny) | TBK1 in complex with tetrazole analog of amlexanox | Descriptor: | 2-amino-7-(propan-2-yl)-3-(1H-tetrazol-5-yl)-5H-[1]benzopyrano[2,3-b]pyridin-5-one, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2017-11-17 | Release date: | 2018-09-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.341 Å) | Cite: | Carboxylic Acid Derivatives of Amlexanox Display Enhanced Potency toward TBK1 and IKKepsilonand Reveal Mechanisms for Selective Inhibition. Mol. Pharmacol., 94, 2018
|
|
3G7W
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3g7w by Molmil](/molmil-images/mine/3g7w) | Islet Amyloid Polypeptide (IAPP or Amylin) Residues 1 to 22 fused to Maltose Binding Protein | Descriptor: | GLYCEROL, Maltose-binding periplasmic protein, Islet amyloid polypeptide fusion protein, ... | Authors: | Wiltzius, J.J.W, Sawaya, M.R, Eisenberg, D. | Deposit date: | 2009-02-11 | Release date: | 2009-06-23 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Atomic structures of IAPP (amylin) fusions suggest a mechanism for fibrillation and the role of insulin in the process Protein Sci., 18, 2009
|
|
3FTK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ftk by Molmil](/molmil-images/mine/3ftk) | |
6CQ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6cq5 by Molmil](/molmil-images/mine/6cq5) | TBK1 in Complex with Sulfone Analog of Amlexanox | Descriptor: | 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid, Serine/threonine-protein kinase TBK1 | Authors: | Beyett, T.S, Tesmer, J.J.G. | Deposit date: | 2018-03-14 | Release date: | 2018-12-05 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.354 Å) | Cite: | Design, synthesis, and biological activity of substituted 2-amino-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylic acid derivatives as inhibitors of the inflammatory kinases TBK1 and IKK epsilon for the treatment of obesity. Bioorg. Med. Chem., 26, 2018
|
|
1E26
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1e26 by Molmil](/molmil-images/mine/1e26) | Design, Synthesis and X-ray Crystal Structure of a Potent Dual Inhibitor of Thymidylate Synthase and Dihydrofolate Reductase as an Antitumor Agent. | Descriptor: | DIHYDROFOLATE REDUCTASE, N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Gangjee, A, Yu, J, McGuire, J.J, Cody, V, Galitsky, N, Kisliuk, R.L, Queener, S.F. | Deposit date: | 2000-05-17 | Release date: | 2001-05-17 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Ligand-Induced Conformational Changes in the Crystal Structures of Pneumocystis Carinii Dihydrofolate Reductase Complexes with Folate and Nadp+ Biochemistry, 38, 1999
|
|