1ZYD
 
 | | Crystal Structure of eIF2alpha Protein Kinase GCN2: Wild-Type Complexed with ATP. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Serine/threonine-protein kinase GCN2 | | Authors: | Padyana, A.K, Qiu, H, Roll-Mecak, A, Hinnebusch, A.G, Burley, S.K. | | Deposit date: | 2005-06-09 | | Release date: | 2005-06-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structural Basis for Autoinhibition and Mutational Activation of Eukaryotic Initiation Factor 2{alpha} Protein Kinase GCN2
J.Biol.Chem., 280, 2005
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1ZZN
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1ZZY
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221P
 | | THREE-DIMENSIONAL STRUCTURES OF H-RAS P21 MUTANTS: MOLECULAR BASIS FOR THEIR INABILITY TO FUNCTION AS SIGNAL SWITCH MOLECULES | | Descriptor: | H-RAS P21 PROTEIN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | | Authors: | Krengel, U, Scherer, A, Kabsch, W, Wittinghofer, A, Pai, E.F. | | Deposit date: | 1991-06-06 | | Release date: | 1994-01-31 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Three-dimensional structures of H-ras p21 mutants: molecular basis for their inability to function as signal switch molecules.
Cell(Cambridge,Mass.), 62, 1990
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5AUW
 | | Crystal structure of DAPK1 in complex with quercetin. | | Descriptor: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE, Death-associated protein kinase 1 | | Authors: | Yokoyama, T, Mizuguchi, M. | | Deposit date: | 2015-06-10 | | Release date: | 2015-10-07 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural Insight into the Interactions between Death-Associated Protein Kinase 1 and Natural Flavonoids.
J.Med.Chem., 58, 2015
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7AKG
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5AVK
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5B84
 | | X-ray crystal structure of met I107Y sperm whale myoglobin | | Descriptor: | Myoglobin, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yuan, H. | | Deposit date: | 2016-06-12 | | Release date: | 2016-08-24 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Distinct roles of a tyrosine-associated hydrogen-bond network in fine-tuning the structure and function of heme proteins: two cases designed for myoglobin
Mol Biosyst, 12, 2016
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7B34
 | | MST3 in complex with compound MRIA12 | | Descriptor: | 1,2-ETHANEDIOL, 8-[(5-azanyl-1,3-dioxan-2-yl)methyl]-6-[2-chloranyl-4-(3-fluoranyl-6-methyl-pyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-11-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
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5AZZ
 | | Crystal structure of seleno-insulin | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Watanabe, S, Okumura, M, Arai, K, Takei, T, Asahina, Y, Hojo, H, Iwaoka, M, Inaba, K. | | Deposit date: | 2015-10-23 | | Release date: | 2017-05-03 | | Last modified: | 2017-06-14 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Preparation of Selenoinsulin as a Long-Lasting Insulin Analogue.
Angew. Chem. Int. Ed. Engl., 56, 2017
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5B18
 | | Crystal Structure of a Darunavir Resistant HIV-1 Protease | | Descriptor: | ACETATE ION, CHLORIDE ION, Protease | | Authors: | Suzuki, K, Ode, H, Nakashima, M, Sugiura, W, Watanabe, N, Suzuki, A, Iwatani, Y. | | Deposit date: | 2015-11-30 | | Release date: | 2016-04-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unique Flap Conformation in an HIV-1 Protease with High-Level Darunavir Resistance
Front Microbiol, 7, 2016
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5B1D
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5BS4
 | | HIV-1 wild Type protease with GRL-047-11A (a methylamine bis-Tetrahydrofuran P2-Ligand, 4-amino sulfonamide derivative) | | Descriptor: | (3R,3aS,4R,6aR)-4-(methylamino)hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate, ACETATE ION, CHLORIDE ION, ... | | Authors: | Wang, Y.-F, Agniswamy, J, Weber, I.T. | | Deposit date: | 2015-06-01 | | Release date: | 2015-09-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Design of HIV-1 Protease Inhibitors with Amino-bis-tetrahydrofuran Derivatives as P2-Ligands to Enhance Backbone-Binding Interactions: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Studies.
J.Med.Chem., 58, 2015
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5B2X
 | | Crystal Structure of P450BM3 mutant with N-perfluoroheptanoyl-L-tryptophan | | Descriptor: | (2~{S})-3-(1~{H}-indol-3-yl)-2-[2,2,3,3,4,4,5,5,6,6,7,7,7-tridecakis(fluoranyl)heptanoylamino]propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... | | Authors: | Cong, Z, Shoji, O, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y. | | Deposit date: | 2016-02-03 | | Release date: | 2017-02-08 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structure of P450BM3 with decoy molecules
to be published
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7AK3
 | | CLK1 bound with CAF052 | | Descriptor: | Dual specificity protein kinase CLK1, ~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-09-29 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure and Inhibitor Identifications Reveal Targeting Opportunity for the Atypical MAPK Kinase ERK3.
Int J Mol Sci, 21, 2020
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7AHQ
 | | Cryo-EM structure of F-actin stabilized by trans-optoJASP-8 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | | Authors: | Pospich, S, Raunser, S. | | Deposit date: | 2020-09-25 | | Release date: | 2021-01-27 | | Last modified: | 2021-04-14 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM Resolves Molecular Recognition Of An Optojasp Photoswitch Bound To Actin Filaments In Both Switch States.
Angew.Chem.Int.Ed.Engl., 60, 2021
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7API
 | | THE S VARIANT OF HUMAN ALPHA1-ANTITRYPSIN, STRUCTURE AND IMPLICATIONS FOR FUNCTION AND METABOLISM | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA 1-ANTITRYPSIN, ... | | Authors: | Loebermann, H, Tokuoka, R, Deisenhofer, J, Huber, R. | | Deposit date: | 1988-09-08 | | Release date: | 1990-10-15 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The S variant of human alpha 1-antitrypsin, structure and implications for function and metabolism.
Protein Eng., 2, 1989
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8PH7
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DPhF)(O2CCH3)3] in condition A | | Descriptor: | Lysozyme C, SODIUM ION, SUCCINIC ACID, ... | | Authors: | Teran, A, Ferraro, G, Merlino, A. | | Deposit date: | 2023-06-19 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.406 Å) | | Cite: | Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
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5B1F
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5B2K
 | | A crucial role of Cys218 in the stabilization of an unprecedented auto-inhibition form of MAP2K7 | | Descriptor: | Dual specificity mitogen-activated protein kinase kinase 7 | | Authors: | Sogabe, Y, Hashimoto, T, Matsumoto, T, Kirii, Y, Sawa, M, Kinoshita, T. | | Deposit date: | 2016-01-19 | | Release date: | 2016-04-06 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | A crucial role of Cys218 in configuring an unprecedented auto-inhibition form of MAP2K7
Biochem.Biophys.Res.Commun., 473, 2016
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8PH6
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with K2[Ru2(DPhF)(CO3)3] in condition B | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C, Ru2(DPhF)(CO3)2(Formate), ... | | Authors: | Teran, A, Ferraro, G, Merlino, A. | | Deposit date: | 2023-06-19 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.07 Å) | | Cite: | Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
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7B36
 | | MST4 in complex with compound G-5555 | | Descriptor: | 1,2-ETHANEDIOL, 8-[(trans-5-amino-1,3-dioxan-2-yl)methyl]-6-[2-chloro-4-(6-methylpyridin-2-yl)phenyl]-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one, CHLORIDE ION, ... | | Authors: | Tesch, R, Rak, M, Joerger, A.C, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-11-28 | | Release date: | 2020-12-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.10681081 Å) | | Cite: | Structure-Based Design of Selective Salt-Inducible Kinase Inhibitors.
J.Med.Chem., 64, 2021
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8PH8
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DPhF)2(O2CCH3)2] in condition A | | Descriptor: | 1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane, Lysozyme C, SODIUM ION, ... | | Authors: | Teran, A, Ferraro, G, Merlino, A. | | Deposit date: | 2023-06-19 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
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8PH5
 | | X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DPhF)2(O2CCH3)2] in condition B | | Descriptor: | 1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Lysozyme C | | Authors: | Teran, A, Ferraro, G, Merlino, A. | | Deposit date: | 2023-06-19 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.29 Å) | | Cite: | Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
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8P1B
 | | Lysozyme structure solved from serial crystallography data collected at 2 kHz with JUNGFRAU detector at MAXIV | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C | | Authors: | Nan, J, Leonarski, F, Furrer, A, Dworkowski, F. | | Deposit date: | 2023-05-11 | | Release date: | 2023-10-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
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