PDB: 93656 resultsInfo pagesStatus searchChemie searchBIRD

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4NVK	Predicting protein conformational response in prospective ligand discovery. Descriptor: Cytochrome c peroxidase, N~2~,N~2~-diethylquinazoline-2,4-diamine, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.56 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
2YZ1	Crystal structure of the ligand-binding domain of murine SHPS-1/SIRP alpha Descriptor: Tyrosine-protein phosphatase non-receptor type substrate 1 Authors: Nakaishi, A. Deposit date: 2007-05-02 Release date: 2007-12-11 Last modified: 2011-07-13 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Structural insight into the specific interaction between murine SHPS-1/SIRP alpha and its ligand CD47 J.Mol.Biol., 375, 2008
4NVG	Predicting protein conformational response in prospective ligand discovery Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.742 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
7QRX	Crystal structure of NHL domain of TRIM71 Descriptor: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase TRIM71 Authors: Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) Deposit date: 2022-01-12 Release date: 2022-05-04 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Comparative structural analyses of the NHL domains from the human E3 ligase TRIM-NHL family. Iucrj, 9, 2022
6QVT	CMP-Sialic acid bound structure of the human wild type Beta-galactoside alpha-2,6-sialyltransferase 1 (ST6Gal1) Descriptor: Beta-galactoside alpha-2,6-sialyltransferase 1, CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID, DI(HYDROXYETHYL)ETHER Authors: Harrus, D, Glumoff, T. Deposit date: 2019-03-04 Release date: 2020-06-10 Last modified: 2024-08-07 Method: X-RAY DIFFRACTION (1.7 Å) Cite: Unliganded and CMP-Neu5Ac bound structures of human alpha-2,6-sialyltransferase ST6Gal I at high resolution. J.Struct.Biol., 212, 2020
1P20	Surprising Roles of Electrostatic Interactions in DNA-Ligand Complexes Descriptor: 5'-D(*CP*GP*AP*TP*CP*G)-3', DOXORUBICIN, THALLIUM (I) ION Authors: Howerton, S.B, Nagpal, A, Williams, L.D. Deposit date: 2003-04-14 Release date: 2003-05-13 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (1.34 Å) Cite: Surprising Roles of Electrostatic Interactions in DNA-Ligand Complexes Biopolymers, 69, 2003
4F52	Structure of a Glomulin-RBX1-CUL1 complex Descriptor: Cullin-1, E3 ubiquitin-protein ligase RBX1, Glomulin, ... Authors: Duda, D.M, Olszewski, J.L, Schulman, B.A. Deposit date: 2012-05-11 Release date: 2012-09-19 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (3 Å) Cite: Structure of a Glomulin-RBX1-CUL1 Complex: Inhibition of a RING E3 Ligase through Masking of Its E2-Binding Surface. Mol.Cell, 47, 2012
4NVJ	Predicting protein conformational response in prospective ligand discovery. Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.813 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVF	Predicting protein conformational response in prospective ligand discovery Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.49 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVC	Predicting protein conformational response in prospective ligand discovery Descriptor: BENZAMIDINE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVD	Predicting protein conformational response in prospective ligand discovery. Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, quinazolin-4-amine Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVI	Predicting protein conformational response in prospective ligand discovery. Descriptor: 3-bromoquinolin-4-amine, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVA	Predicting protein conformational response in prospective ligand discovery Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.57 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVL	Predicting protein conformational response in prospective ligand discovery. Descriptor: 1-(1H-benzimidazol-1-yl)propan-2-one, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.432 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
5HEJ	Pentameric ligand-gated ion channel ELIC mutant F116A Descriptor: Gamma-aminobutyric-acid receptor subunit beta-1 Authors: Bertozzi, C, Dutzler, R. Deposit date: 2016-01-06 Release date: 2016-03-02 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (3.5 Å) Cite: Signal Transduction at the Domain Interface of Prokaryotic Pentameric Ligand-Gated Ion Channels. Plos Biol., 14, 2016
3LNV	The crystal structure of fatty acyl-adenylate ligase from L. pneumophila in complex with acyl adenylate and pyrophosphate Descriptor: 5'-O-[(S)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine, PYROPHOSPHATE 2-, Saframycin Mx1 synthetase B Authors: Zhang, Z, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) Deposit date: 2010-02-03 Release date: 2010-04-07 Last modified: 2024-11-06 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural and Functional Studies of Fatty Acyl Adenylate Ligases from E. coli and L. pneumophila. J.Mol.Biol., 406, 2011
3QJM	Structural flexibility of Shank PDZ domain is important for its binding to different ligands Descriptor: Beta-PIX, SH3 and multiple ankyrin repeat domains protein 1 Authors: Lee, J.H, Park, H, Park, S.J, Kim, H.J, Eom, S.H. Deposit date: 2011-01-30 Release date: 2011-04-13 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.311 Å) Cite: The structural flexibility of the shank1 PDZ domain is important for its binding to different ligands Biochem.Biophys.Res.Commun., 407, 2011
4NVH	Predicting protein conformational response in prospective ligand discovery Descriptor: 3-nitroquinolin-4-amine, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.24 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVN	Predicting protein conformational response in prospective ligand discovery Descriptor: 2,3-dihydrobenzo[h][1,6]naphthyridin-4(1H)-one, Cytochrome c peroxidase, PHOSPHATE ION, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.47 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVB	Predicting protein conformational response in prospective ligand discovery. Descriptor: 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.17 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVM	Predicting protein conformational response in prospective ligand discovery Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-(1H-benzimidazol-1-yl)propanamide, Cytochrome c peroxidase, ... Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.51 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVE	Predicting protein conformational response in prospective ligand discovery Descriptor: BENZIMIDAZOLE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
4NVO	Predicting protein conformational response in prospective ligand discovery Descriptor: 3-(thiophen-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE Authors: Fischer, M, Fraser, J.S. Deposit date: 2013-12-05 Release date: 2013-12-25 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.71 Å) Cite: Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery. Nat Chem, 6, 2014
3QJN	Structural flexibility of Shank PDZ domain is important for its binding to different ligands Descriptor: Beta-PIX, SH3 and multiple ankyrin repeat domains protein 1 Authors: Lee, J.H, Park, H, Park, S.J, Kim, H.J, Eom, S.H. Deposit date: 2011-01-30 Release date: 2011-04-13 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.71 Å) Cite: The structural flexibility of the shank1 PDZ domain is important for its binding to different ligands Biochem.Biophys.Res.Commun., 407, 2011
6VQN	Co-crystal structure of human PD-L1 complexed with Compound A Descriptor: N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide), Programmed cell death 1 ligand 1 Authors: White, A, Lakshminarasimhan, D, Leo, C, Suto, R.K. Deposit date: 2020-02-05 Release date: 2021-01-20 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.49 Å) Cite: Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1. Nat Commun, 12, 2021

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