5A0B
 
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | (4R)-4-(4-cyanophenyl)-6-methyl-2-oxidanylidene-3-[2-oxidanylidene-2-(4-propan-2-ylpiperazin-1-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carbonitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | | Authors: | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | Deposit date: | 2015-04-17 | | Release date: | 2015-08-19 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
|
|
5A8Z
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(4R)-7-methyl-2,5-bis(oxidanylidene)-1-[3-(trifluoromethyl)phenyl]-3,4,6,8-tetrahydropyrimido[4,5-d]pyridazin-4-yl]benzenecarbonitrile, Neutrophil elastase, ... | | Authors: | von Nussbaum, F, Li, V.M, Meibom, D, Anlauf, S, Bechem, M, Delbeck, M, Gerisch, M, Harrenga, A, Karthaus, D, Lang, D, Lustig, K, Mittendorf, J, Schaefer, M, Schaefer, S, Schamberger, J. | | Deposit date: | 2015-07-17 | | Release date: | 2016-08-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Potent and Selective Human Neutrophil Elastase Inhibitors with Novel Equatorial Ring Topology: in vivo Efficacy of the Polar Pyrimidopyridazine BAY-8040 in a Pulmonary Arterial Hypertension Rat Model.
ChemMedChem, 11, 2016
|
|
5WYH
 | | Crystal structure of RidL(1-200) complexed with VPS29 | | Descriptor: | GLYCEROL, Interaptin, Vacuolar protein sorting-associated protein 29 | | Authors: | Yao, J, Sun, Q, Jia, D. | | Deposit date: | 2017-01-13 | | Release date: | 2018-01-24 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Mechanism of inhibition of retromer transport by the bacterial effector RidL.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
|
|
6NB4
 | | MERS-CoV S complex with human neutralizing LCA60 antibody Fab fragment (state 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCA60 heavy chain, ... | | Authors: | Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-06 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
|
|
6NB6
 | | SARS-CoV complex with human neutralizing S230 antibody Fab fragment (state 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S230 heavy chain, ... | | Authors: | Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-06 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
|
|
8EQT
 | | Structure of SARS-CoV-2 Orf3a in plasma membrane-like environment, MSP1D1 nanodisc | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ORF3a protein | | Authors: | Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E. | | Deposit date: | 2022-10-09 | | Release date: | 2023-02-08 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins.
Elife, 12, 2023
|
|
8EQJ
 | | Structure of SARS-CoV-2 Orf3a in late endosome/lysosome-like membrane environment, MSP1D1 nanodisc | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ORF3a protein | | Authors: | Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E. | | Deposit date: | 2022-10-07 | | Release date: | 2023-02-08 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins.
Elife, 12, 2023
|
|
8EQU
 | | Structure of SARS-CoV-2 Orf3a in late endosome/lysosome-like environment, Saposin A nanodisc | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ORF3a protein, Saposin A, ... | | Authors: | Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E. | | Deposit date: | 2022-10-09 | | Release date: | 2023-02-08 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins.
Elife, 12, 2023
|
|
8EQS
 | | Structure of SARS-CoV-1 Orf3a in late endosome/lysosome-like environment, MSP1D1 nanodisc | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Apolipoprotein A-I, ORF3a protein | | Authors: | Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E. | | Deposit date: | 2022-10-09 | | Release date: | 2023-02-08 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins.
Elife, 12, 2023
|
|
6NB7
 | | SARS-CoV complex with human neutralizing S230 antibody Fab fragment (state 2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S230 heavy chain, ... | | Authors: | Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-06 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
|
|
5HNG
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 6-methoxy-2-(1H-pyrazol-5-yl)-1H-benzimidazole, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-18 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
|
|
6NB3
 | | MERS-CoV complex with human neutralizing LCA60 antibody Fab fragment (state 1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LCA60 heavy chain, ... | | Authors: | Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2018-12-06 | | Release date: | 2019-02-06 | | Last modified: | 2020-07-29 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion.
Cell, 176, 2019
|
|
1N4H
 | | Characterization of ligands for the orphan nuclear receptor RORbeta | | Descriptor: | Nuclear Receptor ROR-beta, RETINOIC ACID, Steroid Receptor Coactivator-1 | | Authors: | Stehlin-Gaon, C, Willmann, D, Sanglier, S, Van Dorsselaer, A, Renaud, J.-P, Moras, D, Schuele, R. | | Deposit date: | 2002-10-31 | | Release date: | 2003-09-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | All-trans retinoic acid is a ligand for the orphan nuclear receptor RORbeta
Nat.Struct.Biol., 10, 2003
|
|
6O35
 | |
5HKM
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-14 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
|
|
5HO8
 | | DISCOVERY OF NOVEL 7-AZAINDOLES AS PDK1 INHIBITORS | | Descriptor: | 3-phosphoinositide-dependent protein kinase 1, 4-butyl-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine, SULFATE ION | | Authors: | Wucherer-Plietker, M, Esdar, C, Knoechel, T, Hillertz, P, Heinrich, T, Buchstaller, H.P, Greiner, H, Dorsch, D, Calderini, M, Bruge, D, Mueller, T.J.J, Graedler, U. | | Deposit date: | 2016-01-19 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery of novel 7-azaindoles as PDK1 inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
|
|
8H93
 | | Structure of dimeric mouse SCMC core complex | | Descriptor: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | | Authors: | Chi, P, Ou, G, Han, Z, Li, J, Deng, D. | | Deposit date: | 2022-10-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.01 Å) | | Cite: | Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
|
|
7B3C
 | | Structure of elongating SARS-CoV-2 RNA-dependent RNA polymerase with Remdesivir at position -4 (structure 2) | | Descriptor: | DNA/RNA (5'-R(P*CP*UP*AP*CP*GP*CP*A)-D(P*(RMP))-R(P*GP*UP*G)-3'), Non-structural protein 7, Non-structural protein 8, ... | | Authors: | Kokic, G, Hillen, H.S, Tegunov, D, Dienemann, C, Seitz, F, Schmitzova, J, Farnung, L, Siewert, A, Hoebartner, C, Cramer, P. | | Deposit date: | 2020-11-30 | | Release date: | 2020-12-23 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Mechanism of SARS-CoV-2 polymerase stalling by remdesivir.
Nat Commun, 12, 2021
|
|
8H94
 | | Structure of mouse SCMC bound with KH domain of FILIA | | Descriptor: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | | Authors: | Chi, P, Ou, G, Han, Z, Li, J, Deng, D. | | Deposit date: | 2022-10-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
|
|
8H96
 | | Structure of mouse SCMC core complex | | Descriptor: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | | Authors: | Chi, P, Ou, G, Li, J, Han, Z, Deng, D. | | Deposit date: | 2022-10-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (2.78 Å) | | Cite: | Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
|
|
8H95
 | | Structure of mouse SCMC bound with full-length FILIA | | Descriptor: | NACHT, LRR and PYD domains-containing protein 5, Oocyte-expressed protein homolog, ... | | Authors: | Chi, P, Ou, G, Han, Z, Li, L, Deng, D. | | Deposit date: | 2022-10-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-01-31 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Structural basis of the subcortical maternal complex and its implications in reproductive disorders.
Nat.Struct.Mol.Biol., 31, 2024
|
|
7B88
 | | Crystal structure of Retinoic Acid Receptor alpha (RXRA) in complexed with S99 inhibitor | | Descriptor: | 3-[5-[3,5-bis(chloranyl)phenyl]-4-phenyl-1,3-oxazol-2-yl]propanoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha | | Authors: | Chaikuad, A, Schierle, S, Merk, D, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-12 | | Release date: | 2021-01-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Oxaprozin Analogues as Selective RXR Agonists with Superior Properties and Pharmacokinetics.
J.Med.Chem., 64, 2021
|
|
7B5N
 | | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: NEDD8-CUL1-RBX1-UBE2L3~Ub~ARIH1. | | Descriptor: | 5-azanylpentan-2-one, Cullin-1, E3 ubiquitin-protein ligase ARIH1, ... | | Authors: | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2020-12-05 | | Release date: | 2021-02-10 | | Last modified: | 2021-03-10 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly.
Nature, 590, 2021
|
|
7ATU
 | | The LIMK1 Kinase Domain Bound To LIJTF500025 | | Descriptor: | (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide, LIM domain kinase 1 | | Authors: | Mathea, S, Chatterjee, D, Preuss, F, Yamamoto, S, Tawada, M, Nomura, I, Takagi, T, Ahmed, M, Little, W, Mueller-Knapp, S, Knapp, S. | | Deposit date: | 2020-10-30 | | Release date: | 2020-12-23 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The LIMK1 Kinase Domain Bound To LIJTF500025
To Be Published
|
|
7B5R
 | | Ubiquitin ligation to F-box protein substrates by SCF-RBR E3-E3 super-assembly: CUL1-RBX1-SKP1-SKP2-CKSHS1-Cyclin A-CDK2-p27 | | Descriptor: | Cullin-1, Cyclin-A2, Cyclin-dependent kinase 2, ... | | Authors: | Horn-Ghetko, D, Prabu, J.R, Schulman, B.A. | | Deposit date: | 2020-12-07 | | Release date: | 2021-02-10 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Ubiquitin ligation to F-box protein targets by SCF-RBR E3-E3 super-assembly.
Nature, 590, 2021
|
|
