3GPJ
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![BU of 3gpj by Molmil](/molmil-images/mine/3gpj) | Crystal structure of the yeast 20S proteasome in complex with syringolin B | Descriptor: | N-{[(1S)-2-methyl-1-{[(5S,8S)-5-(1-methylethyl)-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]carbamoyl}propyl]carbamoyl}-L-valine, Proteasome component C1, Proteasome component C11, ... | Authors: | Groll, M, Huber, R, Kaiser, M. | Deposit date: | 2009-03-23 | Release date: | 2009-06-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Synthetic and structural studies on syringolin A and B reveal critical determinants of selectivity and potency of proteasome inhibition Proc.Natl.Acad.Sci.USA, 106, 2009
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6T28
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![BU of 6t28 by Molmil](/molmil-images/mine/6t28) | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 19 (CS640) | Descriptor: | 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[2,6-di(propan-2-yl)pyridin-4-yl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ... | Authors: | Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-08 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model. J.Med.Chem., 63, 2020
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6T29
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![BU of 6t29 by Molmil](/molmil-images/mine/6t29) | Crystal structure of human calmodulin-dependent protein kinase 1D (CAMK1D) bound to compound 18 (CS587) | Descriptor: | 1,2-ETHANEDIOL, 2-[(3~{S})-3-azanylpiperidin-1-yl]-4-[[3,5-bis(2-cyanopropan-2-yl)phenyl]amino]pyrimidine-5-carboxamide, Calcium/calmodulin-dependent protein kinase type 1D, ... | Authors: | Kraemer, A, Sorrell, F, Butterworth, S, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2019-10-08 | Release date: | 2019-11-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.484 Å) | Cite: | Discovery of Highly Selective Inhibitors of Calmodulin-Dependent Kinases That Restore Insulin Sensitivity in the Diet-Induced Obesityin VivoMouse Model. J.Med.Chem., 63, 2020
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6CQ6
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![BU of 6cq6 by Molmil](/molmil-images/mine/6cq6) | K2P2.1(TREK-1) apo structure | Descriptor: | CADMIUM ION, DECANE, POTASSIUM ION, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2018-03-14 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site. Nature, 547, 2017
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6CQ9
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![BU of 6cq9 by Molmil](/molmil-images/mine/6cq9) | K2P2.1(TREK-1):ML402 complex | Descriptor: | CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2018-03-14 | Release date: | 2018-04-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site. Nature, 547, 2017
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6D48
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![BU of 6d48 by Molmil](/molmil-images/mine/6d48) | Cell Surface Receptor | Descriptor: | Myeloid cell surface antigen CD33 | Authors: | Hermans, S.J, Miles, L.A, Parker, M.W. | Deposit date: | 2018-04-17 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.776 Å) | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis. Iscience, 19, 2019
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6D49
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![BU of 6d49 by Molmil](/molmil-images/mine/6d49) | Cell Surface Receptor in Complex with Ligand at 1.80-A Resolution | Descriptor: | 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33 | Authors: | Hermans, S.J, Miles, L.A, Parker, M.W. | Deposit date: | 2018-04-17 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis. Iscience, 19, 2019
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6D4A
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![BU of 6d4a by Molmil](/molmil-images/mine/6d4a) | Cell Surface Receptor with Bound Ligand at 1.75-A Resolution | Descriptor: | 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside, GLYCEROL, Myeloid cell surface antigen CD33 | Authors: | Hermans, S.J, Miles, L.A, Parker, M.W. | Deposit date: | 2018-04-17 | Release date: | 2019-04-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.751 Å) | Cite: | Small Molecule Binding to Alzheimer Risk Factor CD33 Promotes A beta Phagocytosis. Iscience, 19, 2019
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6CQ8
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![BU of 6cq8 by Molmil](/molmil-images/mine/6cq8) | K2P2.1(TREK-1):ML335 complex | Descriptor: | CADMIUM ION, HEXADECANE, N-((E,2S,3R)-1,3-DIHYDROXYOCTADEC-4-EN-2-YL)PALMITAMIDE, ... | Authors: | Lolicato, M, Minor, D.L. | Deposit date: | 2018-03-14 | Release date: | 2018-03-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | K2P2.1 (TREK-1)-activator complexes reveal a cryptic selectivity filter binding site. Nature, 547, 2017
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6OU3
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![BU of 6ou3 by Molmil](/molmil-images/mine/6ou3) | |
6OU1
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![BU of 6ou1 by Molmil](/molmil-images/mine/6ou1) | Crystal Structure of the Computationally-derived 21-Variant of the Myocilin Olfactomedin Domain | Descriptor: | CALCIUM ION, GLYCEROL, Myocilin, ... | Authors: | Hill, S.E, Kwon, M.S, Lieberman, R.L. | Deposit date: | 2019-05-03 | Release date: | 2019-07-03 | Last modified: | 2020-01-15 | Method: | X-RAY DIFFRACTION (1.878 Å) | Cite: | Stable calcium-free myocilin olfactomedin domain variants reveal challenges in differentiating between benign and glaucoma-causing mutations. J.Biol.Chem., 294, 2019
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6OU0
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6OU2
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![BU of 6ou2 by Molmil](/molmil-images/mine/6ou2) | |
7FU5
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![BU of 7fu5 by Molmil](/molmil-images/mine/7fu5) | Crystal Structure of human cyclic GMP-AMP synthase | Descriptor: | (8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, SULFATE ION, ... | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Rudolph, M.G. | Deposit date: | 2023-02-08 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex To be published
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7FU4
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![BU of 7fu4 by Molmil](/molmil-images/mine/7fu4) | Crystal Structure of human cyclic GMP-AMP synthase in complex with 2-[(2-fluoro-4-phenylphenyl)methylamino]-5-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one | Descriptor: | (8S)-2-{[(3-fluoro[1,1'-biphenyl]-4-yl)methyl]amino}-5-propyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, Cyclic GMP-AMP synthase, ZINC ION | Authors: | Leibrock, L, Benz, J, Groebke-Zbinden, K, Hunziker, D, Rudolph, M.G. | Deposit date: | 2023-02-08 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.926 Å) | Cite: | Crystal Structure of a human cyclic GMP-AMP synthase complex To be published
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4USS
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![BU of 4uss by Molmil](/molmil-images/mine/4uss) | Populus trichocarpa glutathione transferase X1-1 (GHR1), complexed with glutathione | Descriptor: | GLUTATHIONE, GLUTATHIONYL HYDROQUINONE REDUCTASE, PHOSPHATE ION | Authors: | Lallement, P.A, Meux, E, Gualberto, J.M, Dumaracay, S, Favier, F, Didierjean, C, Saul, F, Haouz, A, Morel-Rouhier, M, Gelhaye, E, Rouhier, N, Hecker, A. | Deposit date: | 2014-07-13 | Release date: | 2014-12-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Glutathionyl-Hydroquinone Reductases from Poplar are Plastidial Proteins that Deglutathionylate Both Reduced and Oxidized Glutathionylated Quinones. FEBS Lett., 589, 2015
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3VH8
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![BU of 3vh8 by Molmil](/molmil-images/mine/3vh8) | KIR3DL1 in complex with HLA-B*5701 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Vivian, J.P, Rossjohn, J. | Deposit date: | 2011-08-24 | Release date: | 2011-10-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Killer cell immunoglobulin-like receptor 3DL1-mediated recognition of human leukocyte antigen B Nature, 479, 2011
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1HQO
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![BU of 1hqo by Molmil](/molmil-images/mine/1hqo) | CRYSTAL STRUCTURE OF THE NITROGEN REGULATION FRAGMENT OF THE YEAST PRION PROTEIN URE2P | Descriptor: | URE2 PROTEIN | Authors: | Umland, T.C, Taylor, K.L, Rhee, S, Wickner, R.B, Davies, D.R. | Deposit date: | 2000-12-18 | Release date: | 2001-02-14 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The crystal structure of the nitrogen regulation fragment of the yeast prion protein Ure2p. Proc.Natl.Acad.Sci.USA, 98, 2001
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6E5M
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![BU of 6e5m by Molmil](/molmil-images/mine/6e5m) | Crystallographic structure of the cyclic nonapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 32 2 1 | Descriptor: | 9MER-PEPTIDE, CALCIUM ION, Cationic trypsin, ... | Authors: | Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G. | Deposit date: | 2018-07-20 | Release date: | 2019-03-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.612 Å) | Cite: | Crystallographic structure of a complex between trypsin and a nonapeptide derived from a Bowman-Birk inhibitor found in Vigna unguiculata seeds. Arch. Biochem. Biophys., 665, 2019
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8CP6
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1UUB
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![BU of 1uub by Molmil](/molmil-images/mine/1uub) | |
1UUA
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![BU of 1uua by Molmil](/molmil-images/mine/1uua) | |
1MXO
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![BU of 1mxo by Molmil](/molmil-images/mine/1mxo) | AmpC beta-lactamase in complex with an m.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID, Beta-lactamase, PHOSPHATE ION | Authors: | Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. | Deposit date: | 2002-10-02 | Release date: | 2003-03-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Nanomolar inhibitors of AmpC beta-lactamase. J.Am.Chem.Soc., 125, 2003
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1MY8
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![BU of 1my8 by Molmil](/molmil-images/mine/1my8) | AmpC beta-lactamase in complex with an M.carboxyphenylglycylboronic acid bearing the cephalothin R1 side chain | Descriptor: | (1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID, PHOSPHATE ION, beta-lactamase | Authors: | Morandi, F, Caselli, E, Morandi, S, Focia, P.J, Blazquez, J, Shoichet, B.K, Prati, F. | Deposit date: | 2002-10-03 | Release date: | 2003-03-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Nanomolar inhibitors of AmpC beta-lactamase. J.Am.Chem.Soc., 125, 2003
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1EJM
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![BU of 1ejm by Molmil](/molmil-images/mine/1ejm) | CRYSTAL STRUCTURE OF THE BPTI ALA16LEU MUTANT IN COMPLEX WITH BOVINE TRYPSIN | Descriptor: | BETA-TRYPSIN, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION | Authors: | Otlewski, J, Smalas, A, Helland, R, Grzesiak, A, Krowarsch, D. | Deposit date: | 2000-03-03 | Release date: | 2001-03-03 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Substitutions at the P(1) position in BPTI strongly affect the association energy with serine proteinases. J.Mol.Biol., 301, 2000
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