8FLL
 
 | | Crystal structure of BTK kinase domain in complex with pirtobrutinib | | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, SULFATE ION, ... | | Authors: | Cedervall, E.P, Morales, T.H, Allerston, C.K. | | Deposit date: | 2022-12-21 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.498 Å) | | Cite: | Preclinical characterization of pirtobrutinib, a highly selective, noncovalent (reversible) BTK inhibitor.
Blood, 142, 2023
|
|
1HNF
 | | CRYSTAL STRUCTURE OF THE EXTRACELLULAR REGION OF THE HUMAN CELL ADHESION MOLECULE CD2 AT 2.5 ANGSTROMS RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CD2, SODIUM ION | | Authors: | Bodian, D.L, Jones, E.Y, Harlos, K, Stuart, D.I, Davis, S.J. | | Deposit date: | 1994-08-10 | | Release date: | 1995-02-07 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of the extracellular region of the human cell adhesion molecule CD2 at 2.5 A resolution.
Structure, 2, 1994
|
|
4UE3
 | | The Mechanism of Hydrogen Activation by NiFe-hydrogenases and the Importance of the active site Arginine | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE3-S4 CLUSTER, ... | | Authors: | Evans, R.M, Wehlin, S.A.M, Nomerotskaia, E, Sargent, F, Carr, S.B, Phillips, S.E.V, Armstrong, F.A. | | Deposit date: | 2014-12-15 | | Release date: | 2014-12-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Mechanism of Hydrogen Activation by [Nife] Hydrogenases.
Nat.Chem.Biol., 12, 2016
|
|
1HOO
 | | STRUCTURE OF GUANINE NUCLEOTIDE (GPPCP) COMPLEX OF ADENYLOSUCCINATE SYNTHETASE FROM E. COLI AT PH 6.5 AND 25 DEGREES CELSIUS | | Descriptor: | ADENYLOSUCCINATE SYNTHETASE, AMINOPHOSPHONIC ACID-GUANYLATE ESTER, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Poland, B.W, Hou, Z, Bruns, C, Fromm, H.J, Honzatko, R.B. | | Deposit date: | 1996-04-26 | | Release date: | 1997-02-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Refined crystal structures of guanine nucleotide complexes of adenylosuccinate synthetase from Escherichia coli.
J.Biol.Chem., 271, 1996
|
|
4UFC
 | | Crystal structure of the GH95 enzyme BACOVA_03438 | | Descriptor: | CACODYLATE ION, CALCIUM ION, GH95, ... | | Authors: | Rogowski, A, Briggs, J.A, Mortimer, J.C, Tryfona, T, Terrapon, N, Lowe, E.C, Basle, A, Morland, C, Day, A.M, Zheng, H, Rogers, T.E, Thompson, P, Hawkins, A.R, Yadav, M.P, Henrissat, B, Martens, E.C, Dupree, P, Gilbert, H.J, Bolam, D.N. | | Deposit date: | 2015-03-16 | | Release date: | 2015-07-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | Glycan Complexity Dictates Microbial Resource Allocation in the Large Intestine.
Nat.Commun., 6, 2015
|
|
6GOM
 | | KRAS-169 Q61H GPPNHP + PPIN-1 | | Descriptor: | (6~{S})-1-(1~{H}-imidazol-4-ylcarbonyl)-6-[(4-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one, CITRIC ACID, GTPase KRas, ... | | Authors: | Cruz-Migoni, A, Canning, P, Quevedo, C.E, Carr, S.B, Phillips, S.E.V, Rabbitts, T.H. | | Deposit date: | 2018-06-01 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structure-based development of new RAS-effector inhibitors from a combination of active and inactive RAS-binding compounds.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
|
|
1HXE
 | | SERINE PROTEASE | | Descriptor: | HIRUDIN VARIANT-1, RUBIDIUM ION, THROMBIN | | Authors: | Tulinsky, A, Zhang, E. | | Deposit date: | 1995-12-07 | | Release date: | 1996-11-08 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | The molecular environment of the Na+ binding site of thrombin.
Biophys.Chem., 63, 1997
|
|
1HHV
 | | SOLUTION STRUCTURE OF VIRUS CHEMOKINE VMIP-II | | Descriptor: | VIRUS CHEMOKINE VMIP-II | | Authors: | Shao, W, Fernandez, E, Navenot, J.M, Wilken, J, Thompson, D.A, Pepiper, S, Schweitzer, B.I, Lolis, E. | | Deposit date: | 1998-12-06 | | Release date: | 2003-09-16 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | CCR2 and CCR5 receptor-binding properties of herpesvirus-8
vMIP-II based on sequence analysis and its solution structure
Eur.J.Biochem., 268, 2001
|
|
5XOX
 | | Crystal structure of tRNA(His) guanylyltranserase from Saccharomyces cerevisiae | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Lee, K, Lee, E.H, Son, J, Hwang, K.Y. | | Deposit date: | 2017-05-31 | | Release date: | 2017-07-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Crystal structure of tRNA(His) guanylyltransferase from Saccharomyces cerevisiae
Biochem. Biophys. Res. Commun., 490, 2017
|
|
5AT1
 | | STRUCTURAL CONSEQUENCES OF EFFECTOR BINDING TO THE T STATE OF ASPARTATE CARBAMOYLTRANSFERASE. CRYSTAL STRUCTURES OF THE UNLIGATED AND ATP-, AND CTP-COMPLEXED ENZYMES AT 2.6-ANGSTROMS RESOLUTION | | Descriptor: | ASPARTATE CARBAMOYLTRANSFERASE (T STATE), CATALYTIC CHAIN, ASPARTATE CARBAMOYLTRANSFERASE REGULATORY CHAIN, ... | | Authors: | Stevens, R.C, Gouaux, J.E, Lipscomb, W.N. | | Deposit date: | 1990-04-26 | | Release date: | 1990-10-15 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural consequences of effector binding to the T state of aspartate carbamoyltransferase: crystal structures of the unligated and ATP- and CTP-complexed enzymes at 2.6-A resolution.
Biochemistry, 29, 1990
|
|
5H81
 | | HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - COMPLEX WITH NADP+ | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION, heteroyohimbine synthase THAS2 | | Authors: | Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E. | | Deposit date: | 2015-12-23 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
|
|
6H78
 | | E1 enzyme for ubiquitin like protein activation. | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Soudah, N, Padala, P, Hassouna, F, Mashahreh, B, Lebedev, A.A, Isupov, M.N, Cohen-Kfir, E, Wiener, R. | | Deposit date: | 2018-07-30 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | An N-Terminal Extension to UBA5 Adenylation Domain Boosts UFM1 Activation: Isoform-Specific Differences in Ubiquitin-like Protein Activation.
J.Mol.Biol., 431, 2019
|
|
4ZLW
 | |
3KSB
 | | Detailed structural insight into the DNA cleavage complex of type IIA topoisomerases (re-sealed form) | | Descriptor: | 5'-D(*AP*CP*CP*AP*AP*GP*GP*T*CP*AP*TP*GP*AP*AP*TP*GP*AP*CP*TP*AP*TP*GP*CP*AP*CP*GP*TP*AP*AP*AP*AP*CP*AP*G)-3', 5'-D(*CP*TP*GP*TP*TP*TP*TP*A*CP*GP*TP*GP*CP*AP*TP*AP*GP*TP*CP*AP*TP*TP*CP*AP*TP*GP*AP*CP*CP*TP*TP*GP*GP*T)-3', DNA topoisomerase 4 subunit A, ... | | Authors: | Laponogov, I, Pan, X.-S, Veselkov, D.A, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2009-11-21 | | Release date: | 2010-05-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Structural Basis of Gate-DNA Breakage and Resealing by Type II Topoisomerases
Plos One, 5, 2010
|
|
1HR2
 | | CRYSTAL STRUCTURE ANALYSIS OF A MUTANT P4-P6 DOMAIN (DELC209) OF TETRAHYMENA THEMOPHILA GROUP I INTRON. | | Descriptor: | MAGNESIUM ION, P4-P6 DELC209 MUTANT RNA RIBOZYME DOMAIN | | Authors: | Juneau, K, Podell, E.R, Harrington, D.J, Cech, T.R. | | Deposit date: | 2000-12-20 | | Release date: | 2001-04-12 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural basis of the enhanced stability of a mutant ribozyme domain and a detailed view of RNA--solvent interactions.
Structure, 9, 2001
|
|
5H83
 | | HETEROYOHIMBINE SYNTHASE HYS FROM CATHARANTHUS ROSEUS - APO FORM | | Descriptor: | ZINC ION, heteroyohimbine synthase HYS | | Authors: | Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E. | | Deposit date: | 2015-12-23 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
|
|
1HPV
 | |
2IBT
 | | Crystal structure of the adenine-specific DNA methyltransferase M.TaqI complexed with the cofactor analog AETA and a 10 bp DNA containing 2-aminopurine at the target position and an abasic site analog at the target base partner position | | Descriptor: | 5'-D(*GP*AP*CP*AP*(3DR)P*CP*GP*(6MA)P*AP*C)-3', 5'-D(*GP*TP*TP*CP*GP*(2PR)P*TP*GP*TP*C)-3', 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE, ... | | Authors: | Lenz, T, Scheidig, A.J, Weinhold, E. | | Deposit date: | 2006-09-12 | | Release date: | 2007-05-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 2-Aminopurine Flipped into the Active Site of the Adenine-Specific DNA Methyltransferase M.TaqI: Crystal Structures and Time-Resolved Fluorescence
J.Am.Chem.Soc., 129, 2007
|
|
5HJ3
 | | Crystal structure of host-primed Ebola virus GP, GPcl. | | Descriptor: | Envelope glycoprotein, KZ52 Antibody Fragment, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Bornholdt, Z.A, Fusco, M.L, Saphire, E.O. | | Deposit date: | 2016-01-12 | | Release date: | 2016-03-09 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Host-Primed Ebola Virus GP Exposes a Hydrophobic NPC1 Receptor-Binding Pocket, Revealing a Target for Broadly Neutralizing Antibodies.
Mbio, 7, 2016
|
|
5VMY
 | | Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a hemi CpG-methylated DNA resembling the specific Kaiso binding sequence (KBS) | | Descriptor: | CHLORIDE ION, DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*CP*GP*CP*GP*GP*GP*AP*AP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM)P*GP*AP*AP*TP*AP*AP*CP*G)-3'), ... | | Authors: | Nikolova, E.N, Stanfield, R.L, Martinez-Yamout, M.A, Dyson, H.J, Wright, P.E. | | Deposit date: | 2017-04-28 | | Release date: | 2018-04-04 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.002 Å) | | Cite: | CH···O Hydrogen Bonds Mediate Highly Specific Recognition of Methylated CpG Sites by the Zinc Finger Protein Kaiso.
Biochemistry, 57, 2018
|
|
2D6F
 | |
5H82
 | | HETEROYOHIMBINE SYNTHASE THAS2 FROM CATHARANTHUS ROSEUS - APO FORM | | Descriptor: | ZINC ION, heteroyohimbine synthase THAS2 | | Authors: | Stavrinides, A, Tatsis, E.C, Caputi, L, Foureau, E, Stevenson, C.E.M, Lawson, D.M, Courdavault, V, O'Connor, S.E. | | Deposit date: | 2015-12-23 | | Release date: | 2016-07-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structural investigation of heteroyohimbine alkaloid synthesis reveals active site elements that control stereoselectivity.
Nat Commun, 7, 2016
|
|
2LH7
 | | X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) | | Descriptor: | LEGHEMOGLOBIN (NITROSOBENZENE), NITROSOBENZENE, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V. | | Deposit date: | 1982-04-23 | | Release date: | 1983-01-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
|
|
2LH2
 | | X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) | | Descriptor: | LEGHEMOGLOBIN (AQUO MET), OXYGEN ATOM, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V. | | Deposit date: | 1982-04-23 | | Release date: | 1983-01-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
|
|
2LH6
 | | X-RAY STRUCTURAL INVESTIGATION OF LEGHEMOGLOBIN. VI. STRUCTURE OF ACETATE-FERRILEGHEMOGLOBIN AT A RESOLUTION OF 2.0 ANGSTROMS (RUSSIAN) | | Descriptor: | LEGHEMOGLOBIN A (NICOTINATE MET), NICOTINIC ACID, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Vainshtein, B.K, Harutyunyan, E.H, Kuranova, I.P, Borisov, V.V, Sosfenov, N.I, Pavlovsky, A.G, Grebenko, A.I, Konareva, N.V. | | Deposit date: | 1982-04-23 | | Release date: | 1983-01-20 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | X-Ray Structural Investigation of Leghemoglobin. Vi. Structure of Acetate-Ferrileghemoglobin at a Resolution of 2.0 Angstroms (Russian)
Kristallografiya, 25, 1980
|
|
