7X4H
 
 | | Crystal structure of CK2a1 complexed with AG1112 | | Descriptor: | 5-azanyl-3-[(~{Z})-1-cyano-2-(1~{H}-indol-3-yl)ethenyl]-1~{H}-pyrazole-4-carbonitrile, Casein Kinase 2 subunit alpha | | Authors: | Ikeda, A, Kinoshita, T, Tsuyuguchi, M. | | Deposit date: | 2022-03-02 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Bivalent binding mode of an amino-pyrazole inhibitor indicates the potentials for CK2 alpha 1-selective inhibitors.
Biochem.Biophys.Res.Commun., 630, 2022
|
|
7WY2
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 F87A Mutant Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styrene | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CHLORIDE ION, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
4K8O
 | | CRYSTAL STRUCTURE OF THE ATPASE DOMAIN OF TAP1 WITH ATP (D645N, D651A MUTANT) | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Antigen peptide transporter 1, CITRIC ACID, ... | | Authors: | Vakkasoglu, A.S, Grossmann, N, Hulpke, S, Abele, R, Tampe, R, Gaudet, R. | | Deposit date: | 2013-04-18 | | Release date: | 2014-09-03 | | Last modified: | 2014-12-03 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Mechanistic determinants of the directionality and energetics of active export by a heterodimeric ABC transporter.
Nat Commun, 5, 2014
|
|
7WY1
 | | Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Enanthyl-L-Prolyl-L-Phenylalanine in complex with Styerene | | Descriptor: | (2S)-2-[[(2S)-1-heptylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Oxomolybdenum Mesoporphyrin IX, ... | | Authors: | Suzuki, K, Stanfield, J.K, Shisaka, Y, Omura, K, Kasai, C, Sugimoto, H, Shoji, O. | | Deposit date: | 2022-02-15 | | Release date: | 2023-01-04 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A Compound I Mimic Reveals the Transient Active Species of a Cytochrome P450 Enzyme: Insight into the Stereoselectivity of P450-Catalysed Oxidations.
Angew.Chem.Int.Ed.Engl., 62, 2023
|
|
2W7S
 | | SplA serine protease of Staphylococcus aureus (1.8A) | | Descriptor: | SERINE PROTEASE SPLA | | Authors: | Stec-Niemczyka, J, Pustelny, K, Kisielewska, M, Bista, M, Boulware, K.T, Stennicke, H.R, Thogersen, I.B, Daugherty, P.S, Enghild, J.J, Popowicz, G.M, Dubin, A, Potempa, J, Dubin, G. | | Deposit date: | 2008-12-30 | | Release date: | 2010-03-31 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural and Functional Characterization of Spla, an Exclusively Specific Protease of Staphylococcus Aureus
Biochem.J., 419, 2009
|
|
4AHG
 | | S28N - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis | | Descriptor: | ANGIOGENIN, D(-)-TARTARIC ACID | | Authors: | Thiyagarajan, N, Ferguson, R, Saha, S, Pham, T, Subramanian, V, Acharya, K.R. | | Deposit date: | 2012-02-06 | | Release date: | 2012-10-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.448 Å) | | Cite: | Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
|
|
4K9U
 | | Complex of human CYP3A4 with a desoxyritonavir analog | | Descriptor: | Cytochrome P450 3A4, N~2~-(methyl{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}carbamoyl)-N-[(2S,5S)-5-{[(1,3-thiazol-5-ylmethoxy)carbonyl]amino}hexan-2-yl]-D-valinamide, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Sevrioukova, I.F, Poulos, T.L. | | Deposit date: | 2013-04-21 | | Release date: | 2013-06-19 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Dissecting Cytochrome P450 3A4-Ligand Interactions Using Ritonavir Analogues.
Biochemistry, 52, 2013
|
|
3PTB
 | | THE GEOMETRY OF THE REACTIVE SITE AND OF THE PEPTIDE GROUPS IN TRYPSIN, TRYPSINOGEN AND ITS COMPLEXES WITH INHIBITORS | | Descriptor: | BENZAMIDINE, BETA-TRYPSIN, CALCIUM ION | | Authors: | Bode, W, Schwager, P, Walter, J. | | Deposit date: | 1982-09-27 | | Release date: | 1983-01-18 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Geometry of the Reactive Site and of the Peptide Groups in Trypsin, Trypsinogen and its Complexes with Inhibitors
Acta Crystallogr.,Sect.B, 39, 1983
|
|
4AJU
 | | Crystal structure of the reactive loop cleaved ZPI in P41 space group | | Descriptor: | 1,2-ETHANEDIOL, PROTEIN Z-DEPENDENT PROTEASE INHIBITOR, SULFATE ION | | Authors: | Zhou, A, Yan, Y, Wei, Z. | | Deposit date: | 2012-02-19 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Basis for Catalytic Activation of Protein Z-Dependent Protease Inhibitor (Zpi) by Protein Z.
Blood, 120, 2012
|
|
3PTN
 | | ON THE DISORDERED ACTIVATION DOMAIN IN TRYPSINOGEN. CHEMICAL LABELLING AND LOW-TEMPERATURE CRYSTALLOGRAPHY | | Descriptor: | CALCIUM ION, TRYPSIN | | Authors: | Walter, J, Steigemann, W, Singh, T.P, Bartunik, H, Bode, W, Huber, R. | | Deposit date: | 1981-10-26 | | Release date: | 1982-03-04 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | On the Disordered Activation Domain in Trypsinogen. Chemical Labelling and Low-Temperature Crystallography
Acta Crystallogr.,Sect.B, 38, 1982
|
|
4GID
 | | Structure of beta-secretase complexed with inhibitor | | Descriptor: | Beta-secretase 1, L-PROLINAMIDE, N-[(2S)-1-({(2S,3R)-3-hydroxy-1-[(2-methylpropyl)amino]-1-oxobutan-2-yl}amino)-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Ghosh, A, Tang, J, Venkateswara, R.K, Yadav, N, Anderson, D, Gavande, N, Huang, X, Terzyan, S. | | Deposit date: | 2012-08-08 | | Release date: | 2012-10-10 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of highly selective beta-secretase inhibitors: synthesis, biological evaluation, and protein-ligand X-ray crystal structure.
J.Med.Chem., 55, 2012
|
|
3Q5G
 | |
4GJ0
 | | Crystal structure of CD23 lectin domain mutant S252A | | Descriptor: | GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor, SULFATE ION | | Authors: | Yuan, D, Sutton, B.J, Dhaliwal, B. | | Deposit date: | 2012-08-09 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.953 Å) | | Cite: | Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E.
J.Biol.Chem., 288, 2013
|
|
3Q6L
 | | Crystal Structure of Human Adipocyte Fatty Acid Binding Protein (FABP4) at 1.4 Ang. Resolution | | Descriptor: | Fatty acid-binding protein, adipocyte | | Authors: | Prasad, G.S, Carney, D, Small, V, Sankaran, B, Zwart, P.H. | | Deposit date: | 2011-01-02 | | Release date: | 2011-01-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal Structure of Human Adipocyte Fatty Acid Binding Protein (FABP4) at 1.4 Ang. Resolution
To be Published
|
|
4GK1
 | | Crystal structure of CD23 lectin domain mutant D270A | | Descriptor: | GLYCEROL, Low affinity immunoglobulin epsilon Fc receptor, SULFATE ION | | Authors: | Yuan, D, Sutton, B.J, Dhaliwal, B. | | Deposit date: | 2012-08-10 | | Release date: | 2013-06-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.236 Å) | | Cite: | Ca2+-dependent Structural Changes in the B-cell Receptor CD23 Increase Its Affinity for Human Immunoglobulin E.
J.Biol.Chem., 288, 2013
|
|
2W44
 | | Structure DeltaA1-A4 insulin | | Descriptor: | CHLORIDE ION, INSULIN, RESORCINOL, ... | | Authors: | Thorsoee, K.S, Schlein, M, Brandt, J, Schluckebier, G, Naver, H. | | Deposit date: | 2008-11-21 | | Release date: | 2009-12-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Kinetic Evidence for the Sequential Association of Insulin Binding Sites 1 and 2 to the Insulin Receptor and the Influence of Receptor Isoform.
Biochemistry, 49, 2010
|
|
4IPS
 | | Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121 | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazin-2-one, Cytochrome P450 121, GLYCEROL, ... | | Authors: | Fonvielle, M, LeDu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P. | | Deposit date: | 2013-01-10 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
|
|
2W6Y
 | | Crystal structure of Sperm Whale Myoglobin mutant YQR in complex with Xenon | | Descriptor: | MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Miele, A.E, Draghi, F, Renzi, F, Sciara, G, Johnson, K.A, Vallone, B, Brunori, M, Savino, C. | | Deposit date: | 2008-12-19 | | Release date: | 2009-12-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | When the Same Fold Does not Mean the Same Function: The Case of Xenon Cavities in Hemoglobin and Myoglobin
To be Published
|
|
4FSL
 | |
3Q72
 | | Crystal Structure of Rad G-domain-GTP Analog Complex | | Descriptor: | CALCIUM ION, GTP-binding protein RAD, MAGNESIUM ION, ... | | Authors: | Sasson, Y, Navon-Perry, L, Hirsch, J.A. | | Deposit date: | 2011-01-04 | | Release date: | 2011-09-21 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.655 Å) | | Cite: | RGK Family G-Domain:GTP Analog Complex Structures and Nucleotide-Binding Properties.
J.Mol.Biol., 413, 2011
|
|
3Q7P
 | |
4IPW
 | | Substrate and reaction specificity of Mycobacterium tuberculosis cytochrome P450 CYP121 | | Descriptor: | (3S,6S)-3-(3,4-dihydroxybenzyl)-6-(4-hydroxybenzyl)piperazine-2,5-dione, Cytochrome P450 121, GLYCEROL, ... | | Authors: | Fonvielle, M, Ledu, M.H, Lequin, O, Lecoq, A, Jacquet, M, Thai, R, Dubois, S, Grach, G, Gondry, M, Belin, P. | | Deposit date: | 2013-01-10 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Substrate and Reaction Specificity of Mycobacterium tuberculosis Cytochrome P450 CYP121: INSIGHTS FROM BIOCHEMICAL STUDIES AND CRYSTAL STRUCTURES.
J.Biol.Chem., 288, 2013
|
|
3QB0
 | | Crystal structure of Actin-related protein Arp4 from S. cerevisiae complexed with ATP | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 4, CALCIUM ION | | Authors: | Fenn, S, Breitsprecher, D, Gerhold, C.B, Witte, G, Faix, J, Hopfner, K.P. | | Deposit date: | 2011-01-12 | | Release date: | 2011-05-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.404 Å) | | Cite: | Structural biochemistry of nuclear actin-related proteins 4 and 8 reveals their interaction with actin.
Embo J., 30, 2011
|
|
2WZ0
 | | L38V SOD1 mutant complexed with aniline. | | Descriptor: | 2-METHOXY-5-METHYLANILINE, COPPER (II) ION, D-SERINE, ... | | Authors: | Antonyuk, S, Strange, R.W, Hasnain, S.S. | | Deposit date: | 2009-11-20 | | Release date: | 2010-12-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Structural Discovery of Small Molecule Binding Sites in Cu-Zn Human Superoxide Dismutase Familial Amyotrophic Lateral Sclerosis Mutants Provides Insights for Lead Optimization.
J.Med.Chem., 53, 2010
|
|
4ABG
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
|
|
