8FSY
 
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8FSX
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4N7P
 | | Capturing the haemoglobin allosteric transition in a single crystal form; Crystal structure of half-liganded human haemoglobin without phosphate at 2.8 A resolution. | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Sugiyama, K, Shibayama, N, Park, S.Y. | | Deposit date: | 2013-10-16 | | Release date: | 2014-04-02 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.809 Å) | | Cite: | Capturing the hemoglobin allosteric transition in a single crystal form
J.Am.Chem.Soc., 136, 2014
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6DZH
 | | HRAS G13D bound to GDP (H13GDP) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GLYCEROL, ... | | Authors: | Johnson, C.W, Mattos, C. | | Deposit date: | 2018-07-04 | | Release date: | 2019-07-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Isoform-Specific Destabilization of the Active Site Reveals a Molecular Mechanism of Intrinsic Activation of KRas G13D.
Cell Rep, 28, 2019
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8FT3
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7LZK
 | | DHP B in complex with 2,4-Dichlorophenol substrate | | Descriptor: | 2,4-dichlorophenol, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | Carey, L.M, Ghiladi, R.A. | | Deposit date: | 2021-03-10 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase
To Be Published
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8FT1
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6KUB
 | | Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 1) | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HAP protein | | Authors: | Rathore, I, Mishra, V, Bhaumik, P. | | Deposit date: | 2019-08-31 | | Release date: | 2020-05-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Activation mechanism of plasmepsins, pepsin-like aspartic proteases from Plasmodium, follows a unique trans-activation pathway.
Febs J., 288, 2021
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6DZF
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6E02
 | | WT swMb-MeNO | | Descriptor: | Myoglobin, NITROSOMETHANE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Herrera, V.E. | | Deposit date: | 2018-07-05 | | Release date: | 2019-07-17 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Insights into Nitrosoalkane Binding to Myoglobin Provided by Crystallography of Wild-Type and Distal Pocket Mutant Derivatives.
Biochemistry, 62, 2023
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7LZ5
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4N8T
 | | Human hemoglobin nitric oxide adduct | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRIC OXIDE, ... | | Authors: | Yi, J, Richter-Addo, G.B. | | Deposit date: | 2013-10-18 | | Release date: | 2014-10-08 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic characterization of the nitric oxide derivative of R-state human hemoglobin.
Nitric Oxide, 39, 2014
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7CK4
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7CL7
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8FZ8
 | | Structure of cytochrome P450sky2 | | Descriptor: | Cytochrome P450, OCTANOIC ACID (CAPRYLIC ACID), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Murarka, V.C, Poulos, T.L. | | Deposit date: | 2023-01-27 | | Release date: | 2024-02-07 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.43 Å) | | Cite: | Biosynthesis of a new skyllamycin in Streptomyces nodosus : a cytochrome P450 forms an epoxide in the cinnamoyl chain.
Org.Biomol.Chem., 22, 2024
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7CL9
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6KQU
 | | Crystal structure of phospholipase A2 | | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Hou, S, Xu, T, Liu, J. | | Deposit date: | 2019-08-18 | | Release date: | 2020-08-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Residue Asn21 acts as a switch for calcium binding to modulate the enzymatic activity of human phospholipase A2 group IIE.
Biochimie, 176, 2020
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4N9R
 | | X-ray structure of the complex between hen egg white lysozyme and pentacholrocarbonyliridate(III) (1 day) | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION, ... | | Authors: | Petruk, A.A, Bikiel, D.E, Vergara, A, Merlino, A. | | Deposit date: | 2013-10-21 | | Release date: | 2015-12-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Interaction between proteins and Ir based CO releasing molecules: mechanism of adduct formation and CO release.
Inorg.Chem., 53, 2014
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7LZN
 | | DHP B in complex with 2,4-Dichlorophenol substrate | | Descriptor: | 2,4-dichlorophenol, Dehaloperoxidase B, GLYCEROL, ... | | Authors: | Carey, L.M, Ghiladi, R.A. | | Deposit date: | 2021-03-10 | | Release date: | 2022-03-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Mechanistic and Structural Studies of 2,4-dihalophenol: Bridging the Functional Gap between Reactivity and Inhibition in Dehaloperoxidase
To Be Published
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4MWL
 | | Shanghai N9 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... | | Authors: | Wu, Y, Qi, J.X, Gao, F, Gao, G.F. | | Deposit date: | 2013-09-25 | | Release date: | 2013-11-20 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses
Cell Res., 23, 2013
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7CL8
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5VLO
 | | The structure of human CamKII with bound inhibitor | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Calcium/calmodulin-dependent protein kinase type II subunit delta, N-[(2S)-2-(diethylamino)propyl]-2-[(2S)-2-(methylcarbamoyl)azetidin-1-yl]-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide | | Authors: | Somoza, J.R, Villasenor, A.G. | | Deposit date: | 2017-04-25 | | Release date: | 2017-08-23 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Inhibitors of CamKII
To Be Published
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7CMB
 | | Crystal Structure of PAK4 in complex with inhibitor 41 | | Descriptor: | 1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indole-3-carboxamide, Serine/threonine-protein kinase PAK 4 | | Authors: | Zhao, F, Li, H. | | Deposit date: | 2020-07-26 | | Release date: | 2021-07-28 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.592 Å) | | Cite: | Discovery of 6-ethynyl-1H-indole-3-carboxamide Derivatives as Highly Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors
to be published
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5ZA7
 | | uPA-HMA | | Descriptor: | 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide, SULFATE ION, Urokinase-type plasminogen activator chain B | | Authors: | Buckley, B.J, Jiang, L.G, Huang, M.D, Kelso, M.J, Ranson, M. | | Deposit date: | 2018-02-06 | | Release date: | 2018-12-19 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | 6-Substituted Hexamethylene Amiloride (HMA) Derivatives as Potent and Selective Inhibitors of the Human Urokinase Plasminogen Activator for Use in Cancer.
J. Med. Chem., 61, 2018
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4NM3
 | | Crystal structure of GSK-3/Axin complex bound to phosphorylated N-terminal auto-inhibitory pS9 peptide | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ADENOSINE-5'-DIPHOSPHATE, Axin-1, ... | | Authors: | Chu, M.L.-H, Stamos, J.L, Enos, M.D, Shah, N, Weis, W.I. | | Deposit date: | 2013-11-14 | | Release date: | 2014-03-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of GSK-3 inhibition by N-terminal phosphorylation and by the Wnt receptor LRP6.
Elife, 3, 2014
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