PDB: 93737 resultsInfo pagesStatus searchChemie searchBIRD

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1K5C	Endopolygalacturonase I from Stereum purpureum at 0.96 A resolution Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ENDOPOLYGALACTURONASE, ... Authors: Shimizu, T, Nakatsu, T, Miyairi, K, Okuno, T, Kato, H. Deposit date: 2001-10-10 Release date: 2002-06-05 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (0.96 Å) Cite: Active-site architecture of endopolygalacturonase I from Stereum purpureum revealed by crystal structures in native and ligand-bound forms at atomic resolution. Biochemistry, 41, 2002
2DS0	Crystal structure of the earthworm lectin C-terminal domain mutant in complex with 6'-sialyllactose Descriptor: 29-kDa galactose-binding lectin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, SULFATE ION Authors: Suzuki, R, Fujimoto, Z. Deposit date: 2006-06-16 Release date: 2007-02-06 Last modified: 2023-10-25 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Tailoring a novel sialic acid-binding lectin from a ricin-B chain-like galactose-binding protein by natural evolution-mimicry J.Biochem., 141, 2007
6EJX	The metal ion-dependent adhesion site (MIDAS) of the alphaMbeta2 integrin Mac-1 I-domain promiscuously and competitively binds multiple ligands in the regulation of Leukocyte function Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... Authors: Emsley, J, Saleem, M. Deposit date: 2017-09-24 Release date: 2018-10-24 Last modified: 2024-11-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Structural basis of the leukocyte integrin Mac-1 I-domain interactions with the platelet glycoprotein Ib. Blood Adv, 3, 2019
5F5L	The structure of monooxygenase KstA11 in the biosynthetic pathway of kosinostatin Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, GLYCEROL, Monooxygenase Authors: Pan, L, Gong, Y. Deposit date: 2015-12-04 Release date: 2016-12-21 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.68 Å) Cite: Hydroxyl regioisomerization of anthracycline catalyzed by a four-enzyme cascade Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4DTY	cytochrome P450 BM3h-8C8 MRI sensor, no ligand Descriptor: MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 8C8 Authors: Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. Deposit date: 2012-02-21 Release date: 2012-06-13 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin. J.Mol.Biol., 422, 2012
8G4V	Horse liver alcohol dehydrogense His-51-Gln form complexed with NAD+ and 2,3,4,5,6-pentafluorobenzyl alcohol Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... Authors: Plapp, B.V, Subramanian, R. Deposit date: 2023-02-10 Release date: 2023-02-22 Last modified: 2024-09-04 Method: X-RAY DIFFRACTION (1.2 Å) Cite: Histidine-51 facilitates deprotonation of the zinc-bound ligand during catalysis by horse liver alcohol dehydrogenase To Be Published
6XGC	CryoEM structure of influenza hemagglutinin A/Michigan/45/2015 in complex with cyno antibody 1C4 Descriptor: 1C4 Fab heavy chain, 1C4 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... Authors: Qiu, Y, Zhou, Y. Deposit date: 2020-06-17 Release date: 2021-03-10 Last modified: 2024-10-09 Method: ELECTRON MICROSCOPY (4.1 Å) Cite: Broad neutralization of H1 and H3 viruses by adjuvanted influenza HA stem vaccines in nonhuman primates. Sci Transl Med, 13, 2021
6E80	Crystal structure of the Corn aptamer in unliganded state Descriptor: ACETATE ION, IRIDIUM HEXAMMINE ION, IRIDIUM ION, ... Authors: Sjekloca, L, Ferre-D'Amare, A.R. Deposit date: 2018-07-27 Release date: 2019-07-31 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (2.901 Å) Cite: Binding between G Quadruplexes at the Homodimer Interface of the Corn RNA Aptamer Strongly Activates Thioflavin T Fluorescence. Cell Chem Biol, 26, 2019
1P4S	Solution structure of Mycobacterium tuberculosis adenylate kinase Descriptor: Adenylate kinase Authors: Miron, S, Munier-Lehmann, H, Craescu, C.T. Deposit date: 2003-04-24 Release date: 2004-01-20 Last modified: 2024-05-22 Method: SOLUTION NMR Cite: Structural and Dynamic Studies on Ligand-Free Adenylate Kinase from Mycobacterium tuberculosis Revealed a Closed Conformation that Can Be Related to the Reduced Catalytic Activity. Biochemistry, 43, 2004
7JUP	Structure of human TRPA1 in complex with antagonist compound 21 Descriptor: 1-({3-[(3R,5R)-5-(4-fluorophenyl)oxolan-3-yl]-1,2,4-oxadiazol-5-yl}methyl)-7-methyl-1,7-dihydro-6H-purin-6-one, Transient receptor potential cation channel subfamily A member 1 Authors: Rohou, A, Rouge, L. Deposit date: 2020-08-20 Release date: 2021-03-31 Last modified: 2024-03-06 Method: ELECTRON MICROSCOPY (3.05 Å) Cite: Tetrahydrofuran-Based Transient Receptor Potential Ankyrin 1 (TRPA1) Antagonists: Ligand-Based Discovery, Activity in a Rodent Asthma Model, and Mechanism-of-Action via Cryogenic Electron Microscopy. J.Med.Chem., 64, 2021
2VZY	Crystal structure of Rv0802c from Mycobacterium tuberculosis in an unliganded form. Descriptor: 2-ETHOXYETHANOL, ACETATE ION, CITRATE ANION, ... Authors: Vetting, M.W, Errey, J.C, Blanchard, J.S. Deposit date: 2008-08-07 Release date: 2009-04-07 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2 Å) Cite: Rv0802C from Mycobacterium Tuberculosis: The First Structure of a Succinyltransferase with the Gnat Fold. Acta Crystallogr.,Sect.F, 64, 2008
6XN8	Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017 Descriptor: 2-hydroxyacyl-CoA lyase 1, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... Authors: Miller, M.D, Xu, W, Olmos Jr, J.L, Chou, A, Clomburg, J.M, Gonzalez, R, Philips Jr, G.N. Deposit date: 2020-07-02 Release date: 2021-07-07 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017 To Be Published
4ITE	Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(2H-tetrazol-2-yl)ethyl]vitamin D3 Descriptor: (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol, Vitamin D3 receptor Authors: Kakuda, S, Takimoto-Kamimura, M. Deposit date: 2013-01-18 Release date: 2014-01-22 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.49 Å) Cite: Synthesis of 2 alpha-heteroarylalkyl active vitamin d3 with therapeutic effect on enhancing bone mineral density in vivo ACS MED.CHEM.LETT., 4, 2013
1DHG	HG-SUBSTITUTED DESULFOREDOXIN Descriptor: MERCURY (II) ION, PROTEIN (DESULFOREDOXIN) Authors: Archer, M, Carvalho, A.L, Teixeira, S, Moura, I, Moura, J.J.G, Rusnak, F, Romao, M.J. Deposit date: 1999-03-22 Release date: 1999-07-09 Last modified: 2023-08-09 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Structural studies by X-ray diffraction on metal substituted desulforedoxin, a rubredoxin-type protein. Protein Sci., 8, 1999
4RZF	Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1 Authors: Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T. Deposit date: 2014-12-21 Release date: 2015-03-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.99 Å) Cite: Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation. Nat.Chem.Biol., 11, 2015
4DUA	cytochrome P450 BM3h-9D7 MRI sensor, no ligand Descriptor: PROTOPORPHYRIN IX CONTAINING FE, TRIETHYLENE GLYCOL, cytochrome P450 BM3 variant 9D7 Authors: Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. Deposit date: 2012-02-21 Release date: 2012-06-13 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin. J.Mol.Biol., 422, 2012
7DY7	Discovery of Novel Small-molecule Inhibitors of PD-1/PD-L1 Axis that Promotes PD-L1 Internalization and Degradation Descriptor: 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol, Programmed cell death 1 ligand 1 Authors: Cheng, Y, Wang, T.Y, Lu, M.L, Jiang, S, Xiao, Y.B. Deposit date: 2021-01-20 Release date: 2022-01-26 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2.42 Å) Cite: Discovery of Small-Molecule Inhibitors of the PD-1/PD-L1 Axis That Promote PD-L1 Internalization and Degradation. J.Med.Chem., 65, 2022
7K27	Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 bound to ATR inhibitor AZ20 Descriptor: 1,2-ETHANEDIOL, 4-{4-[(3R)-3-methylmorpholin-4-yl]-6-[1-(methylsulfonyl)cyclopropyl]pyrimidin-2-yl}-1H-indole, DIMETHYL SULFOXIDE, ... Authors: Karim, M.R, Schonbrunn, E. Deposit date: 2020-09-08 Release date: 2021-09-22 Last modified: 2023-10-18 Method: X-RAY DIFFRACTION (1.5 Å) Cite: Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
7K6F	Crystal structure of the tandem bromodomain (BD1, BD2) of human TAF1 in complex with MES (2-(N-morpholino)ethanesulfonic acid) Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ACETATE ION, ... Authors: Karim, M.R, Bikowitz, M.J, Schonbrunn, E. Deposit date: 2020-09-20 Release date: 2021-09-22 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain. J.Med.Chem., 65, 2022
5T6C	Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-methylpyridinyl-methoxy-phenyl-pyridine piperazine ligand Descriptor: 1-(4-{3,5-dichloro-4-[(2-methylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA Authors: Robinson, D.A, Wyatt, P.G. Deposit date: 2016-09-01 Release date: 2017-09-13 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors. J. Med. Chem., 60, 2017
5T6H	Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dimethylpyridyl-dipihenyl-pyridine ligand Descriptor: 1-(4-{3,5-dichloro-4-[(2,6-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA Authors: Robinson, D.A, Wyatt, P.G. Deposit date: 2016-09-01 Release date: 2017-09-13 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors. J. Med. Chem., 60, 2017
1JEV	OLIGO-PEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH KWK Descriptor: OLIGO-PEPTIDE BINDING PROTEIN, PEPTIDE LYS TRP LYS, URANYL (VI) ION Authors: Tame, J, Wilkinson, A.J. Deposit date: 1996-07-03 Release date: 1997-05-15 Last modified: 2024-10-23 Method: X-RAY DIFFRACTION (1.3 Å) Cite: The role of water in sequence-independent ligand binding by an oligopeptide transporter protein. Nat.Struct.Biol., 3, 1996
3DNE	cAMP-dependent protein kinase PKA catalytic subunit with PKI-5-24 Descriptor: 3-pyridin-4-yl-1H-indazole, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha Authors: Schiffer, A, Wendt, K.U. Deposit date: 2008-07-02 Release date: 2009-06-23 Last modified: 2024-10-16 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystallography-independent determination of ligand binding modes Angew.Chem.Int.Ed.Engl., 47, 2008
4RZE	Crystal Structure Analysis of the NUR77 Ligand Binding Domain, L437W,D594E mutant Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1 Authors: Fengwei, L, Xuyang, T, Anzhong, L, Li, L, Yuan, L, Hangzi, C, Qiao, W, Tianwei, L. Deposit date: 2014-12-21 Release date: 2015-03-18 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.49 Å) Cite: Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation. Nat.Chem.Biol., 11, 2015
5T6E	Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a dichloro-dimethylpyridyl-methoxy-phenyl-pyridyl-piperazine ligand Descriptor: 1-(4-{3,5-dichloro-4-[(2,4-dimethylpyridin-3-yl)methoxy]phenyl}pyridin-2-yl)piperazine, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA Authors: Robinson, D.A, Wyatt, P.G. Deposit date: 2016-09-01 Release date: 2017-09-13 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors. J. Med. Chem., 60, 2017

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