5UV6
| Crystal structure of human Opioid Binding Protein/Cell Adhesion Molecule Like (OPCML) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Opioid-binding protein/cell adhesion molecule, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Birtley, J.R, Stern, L.J, Gabra, H, Zanini, E. | Deposit date: | 2017-02-19 | Release date: | 2018-03-21 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.65002 Å) | Cite: | Inactivating mutations and X-ray crystal structure of the tumor suppressor OPCML reveal cancer-associated functions. Nat Commun, 10, 2019
|
|
6HVW
| Yeast 20S proteasome with human beta2i (1-53) in complex with 43 | Descriptor: | (2~{S})-~{N}-[(2~{S},3~{R})-1-[(4~{a}~{S},8~{a}~{S})-1,2,3,4,4~{a},5,6,7,8,8~{a}-decahydronaphthalen-2-yl]-4-methyl-3,4-bis(oxidanyl)pentan-2-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
|
|
8DXE
| HIV-1 reverse transcriptase/rilpivirine with bound fragment 2-amino-6-fluorobenzonitrile at the NNRTI adjacent site | Descriptor: | 1,2-ETHANEDIOL, 2-amino-6-fluorobenzonitrile, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
|
|
8DXJ
| HIV-1 reverse transcriptase/rilpivirine with bound fragment 1-N-methyl-4-(trifluoromethyl)benzene-1,2-diamine at the NNRTI adjacent site | Descriptor: | 1,2-ETHANEDIOL, 4-{[4-({4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}amino)pyrimidin-2-yl]amino}benzonitrile, DIMETHYL SULFOXIDE, ... | Authors: | Chopra, A, Ruiz, F.X, Bauman, J.D, Arnold, E. | Deposit date: | 2022-08-02 | Release date: | 2023-05-31 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Halo Library, a Tool for Rapid Identification of Ligand Binding Sites on Proteins Using Crystallographic Fragment Screening. J.Med.Chem., 66, 2023
|
|
6HWF
| Yeast 20S proteasome beta2-G45A mutant in complex with ONX 0914 | Descriptor: | (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
|
|
5C7C
| Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 18 | Descriptor: | (2R)-4-[2-(6-chloro-3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-2-methylpiperazin-1-ium, E3 ubiquitin-protein ligase XIAP, ZINC ION | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | Deposit date: | 2015-06-24 | Release date: | 2015-08-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP. J.Med.Chem., 58, 2015
|
|
8ARI
| |
6E27
| The CARD9 CARD domain-swapped dimer with a zinc ion bound to one of the two zinc binding sites | Descriptor: | Caspase recruitment domain-containing protein 9, ZINC ION | Authors: | Holliday, M.J, Ferrao, R, Boenig, G, Deuber, E.C, Fairbrother, W.J. | Deposit date: | 2018-07-10 | Release date: | 2018-09-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.811 Å) | Cite: | Picomolar zinc binding modulates formation of Bcl10-nucleating assemblies of the caspase recruitment domain (CARD) of CARD9. J. Biol. Chem., 293, 2018
|
|
6CVK
| |
6OEC
| Yeast Spc42 Trimeric Coiled-Coil Amino Acids 181-211 fused to PDB: 3H5I | Descriptor: | CALCIUM ION, Response regulator/sensory box protein/GGDEF domain protein,Spindle pole body component SPC42 | Authors: | Drennan, A.C, Shivaani, K, Seeger, M.A, Andreas, M.P, Gardner, J.M, Sether, E.K.R, Jasperson, S.L, Rayment, I. | Deposit date: | 2019-03-27 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.514 Å) | Cite: | Structure and function of Spc42 coiled-coils in yeast centrosome assembly and duplication. Mol.Biol.Cell, 30, 2019
|
|
2PGF
| |
6HTP
| |
6CXJ
| |
2PGR
| |
6HV3
| Yeast 20S proteasome with human beta2i (1-53) | Descriptor: | CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-10 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
|
|
6HW6
| Yeast 20S proteasome in complex with 20 | Descriptor: | MAGNESIUM ION, Probable proteasome subunit alpha type-7, Proteasome subunit alpha type-1, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2018-10-11 | Release date: | 2019-01-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-Based Design of Inhibitors Selective for Human Proteasome beta 2c or beta 2i Subunits. J.Med.Chem., 62, 2019
|
|
6CWD
| |
1S9F
| DPO with AT matched | Descriptor: | 2',3'-DIDEOXYCYTOSINE-5'-DIPHOSPHATE, 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*CP*TP*A)-3', 5'-D(*T*TP*CP*AP*GP*TP*AP*GP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3', ... | Authors: | Trincao, J, Johnson, R.E, Wolfle, W.T, Escalante, C.R, Prakash, S, Prakash, L, Aggarwal, A.K. | Deposit date: | 2004-02-04 | Release date: | 2005-02-15 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Dpo4 is hindered in extending a G.T mismatch by a reverse wobble Nat.Struct.Mol.Biol., 11, 2004
|
|
6OJ0
| Cryo-EM reconstruction of Sulfolobus polyhedral virus 1 (SPV1) | Descriptor: | Structural protein VP4, Uncharacterized protein | Authors: | Wang, F, Liu, Y, Conway, J.F, Krupovic, M, Prangishvili, D, Egelman, E.H. | Deposit date: | 2019-04-10 | Release date: | 2019-10-02 | Last modified: | 2020-01-08 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | A packing for A-form DNA in an icosahedral virus. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6GMB
| Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate | Descriptor: | 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, GLYCOLIC ACID, ... | Authors: | MacKinnon, S, Bezerra, G.A, Krojer, T, Smee, C, Arrowsmith, C.H, Edwards, E, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W, Structural Genomics Consortium (SGC) | Deposit date: | 2018-05-24 | Release date: | 2018-06-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structure of human hydroxyacid oxidase 1 bound with FMN and glycolate To Be Published
|
|
8DNG
| |
5J1T
| TorsinAdeltaE-LULL1 complex, H. sapiens, bound to VHH-BS2 | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | Authors: | Demircioglu, F.E, Schwartz, T.U. | Deposit date: | 2016-03-29 | Release date: | 2016-08-17 | Last modified: | 2019-12-11 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Structures of TorsinA and its disease-mutant complexed with an activator reveal the molecular basis for primary dystonia. Elife, 5, 2016
|
|
7FIH
| luteinizing hormone/choriogonadotropin receptor(S277I)-chorionic gonadotropin-Gs-Org43553 complex | Descriptor: | 5-azanyl-N-tert-butyl-2-methylsulfanyl-4-[3-(2-morpholin-4-ylethanoylamino)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide, Choriogonadotropin subunit beta 3, Engineered Guanine nucleotide-binding protein G(s) subunit alpha, ... | Authors: | Duan, J, Xu, P, Cheng, X, Mao, C, Croll, T, He, X, Shi, J, Luan, X, Yin, W, You, E, Liu, Q, Zhang, S, Jiang, H, Zhang, Y, Jiang, Y, Xu, H.E. | Deposit date: | 2021-07-31 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Structures of full-length glycoprotein hormone receptor signalling complexes. Nature, 598, 2021
|
|
6U6U
| IL36R extracellular domain in complex with BI655130 Fab | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BI00655130 Fab heavy chain, ... | Authors: | Larson, E.T, Farrow, N.A. | Deposit date: | 2019-08-30 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | X-ray crystal structure localizes the mechanism of inhibition of an IL-36R antagonist monoclonal antibody to interaction with Ig1 and Ig2 extra cellular domains. Protein Sci., 29, 2020
|
|
1CE9
| HELIX CAPPING IN THE GCN4 LEUCINE ZIPPER | Descriptor: | PROTEIN (GCN4-PMSE) | Authors: | Lu, M, Shu, W, Ji, H, Spek, E, Wang, L.-Y, Kallenbach, N.R. | Deposit date: | 1999-03-18 | Release date: | 1999-03-25 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Helix capping in the GCN4 leucine zipper. J.Mol.Biol., 288, 1999
|
|