6QFH
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![BU of 6qfh by Molmil](/molmil-images/mine/6qfh) | Crystal Structure of Human Kallikrein 6 (N217D/I218Y/K224R) in complex with GSK144. | Descriptor: | 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6 | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-10 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome. Acta Crystallogr.,Sect.F, 75, 2019
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3LJD
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![BU of 3ljd by Molmil](/molmil-images/mine/3ljd) | The X-ray structure of zebrafish RNase1 from a new crystal form at pH 4.5 | Descriptor: | ACETATE ION, SULFATE ION, Zebrafish RNase1 | Authors: | Russo Krauss, I, Merlino, A, Mazzarella, L, Sica, F. | Deposit date: | 2010-01-26 | Release date: | 2010-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | A new RNase sheds light on the RNase/angiogenin subfamily from zebrafish. Biochem.J., 433, 2010
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4YXR
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![BU of 4yxr by Molmil](/molmil-images/mine/4yxr) | CRYSTAL STRUCTURE OF PKA IN COMPLEX WITH inhibitor. | Descriptor: | 3-methyl-2H-indazole, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Schiffer, A, Wendt, K.U. | Deposit date: | 2015-03-23 | Release date: | 2015-05-27 | Last modified: | 2015-06-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A combination of spin diffusion methods for the determination of protein-ligand complex structural ensembles. Angew.Chem.Int.Ed.Engl., 54, 2015
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3LNG
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4Z84
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![BU of 4z84 by Molmil](/molmil-images/mine/4z84) | PKAB3 in complex with pyrrolidine inhibitor 34a | Descriptor: | 7-[(3S,4R)-4-(3-chlorophenyl)carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one, METHANOL, cAMP-dependent protein kinase catalytic subunit alpha, ... | Authors: | Lund, B.A, Alam, K.A, Engh, R.A. | Deposit date: | 2015-04-08 | Release date: | 2015-12-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.554 Å) | Cite: | Addressing the Glycine-Rich Loop of Protein Kinases by a Multi-Facetted Interaction Network: Inhibition of PKA and a PKB Mimic. Chemistry, 22, 2016
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3LO5
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![BU of 3lo5 by Molmil](/molmil-images/mine/3lo5) | Crystal Structure of the dominant negative S17N mutant of Ras | Descriptor: | CALCIUM ION, GTPase HRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Nassar, N, Singh, K, Garcia-Diaz, M. | Deposit date: | 2010-02-03 | Release date: | 2010-03-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.568 Å) | Cite: | Structure of the Dominant Negative S17N Mutant of Ras Biochemistry, 49, 2010
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3LPA
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![BU of 3lpa by Molmil](/molmil-images/mine/3lpa) | Crystal structure of a subtilisin-like protease | Descriptor: | Acidic extracellular subtilisin-like protease AprV2, CALCIUM ION | Authors: | Porter, C.J, Wong, W, Whisstock, J.C, Rood, J.I, Kennan, R.M. | Deposit date: | 2010-02-05 | Release date: | 2010-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Subtilisin-Like Protease AprV2 Is Required for Virulence and Uses a Novel Disulphide-Tethered Exosite to Bind Substrates Plos Pathog., 6, 2010
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3LAU
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6QFF
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![BU of 6qff by Molmil](/molmil-images/mine/6qff) | Crystal Structure of Human Kallikrein 6 in complex with GSK144 | Descriptor: | 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6 | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-10 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome. Acta Crystallogr.,Sect.F, 75, 2019
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6QFL
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3LP9
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![BU of 3lp9 by Molmil](/molmil-images/mine/3lp9) | Crystal structure of LS24, A Seed Albumin from Lathyrus sativus | Descriptor: | CALCIUM ION, CHLORIDE ION, LS-24, ... | Authors: | Gaur, V, Qureshi, I.A, Singh, A, Chanana, V, Salunke, D.M. | Deposit date: | 2010-02-05 | Release date: | 2010-02-23 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure and functional insights of hemopexin fold protein from grass pea Plant Physiol., 152, 2010
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8X88
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4Z92
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![BU of 4z92 by Molmil](/molmil-images/mine/4z92) | crystal structure of parechovirus-1 virion | Descriptor: | Capsid subunit VP3, RNA (5'-R(*AP*UP*UP*UP*UP*U)-3'), capsid subunit VP0, ... | Authors: | Kalynych, S, Palkova, L, Plevka, P. | Deposit date: | 2015-04-09 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | The Structure of Human Parechovirus 1 Reveals an Association of the RNA Genome with the Capsid. J.Virol., 90, 2015
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6QFT
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![BU of 6qft by Molmil](/molmil-images/mine/6qft) | Structure of the mitogen activated kinase kinase 7 in complex with pyrazolopyrimidin 1b | Descriptor: | 1-[(3~{R})-3-(4-azanyl-3-iodanyl-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | Authors: | Wolle, P, Mueller, M.P, Rauh, D. | Deposit date: | 2019-01-10 | Release date: | 2019-05-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7). J.Med.Chem., 62, 2019
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3L6Q
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![BU of 3l6q by Molmil](/molmil-images/mine/3l6q) | Crystal structure of the N-terminal domain of HSP70 from Cryptosporidium parvum (CGD2_20) | Descriptor: | Heat shock 70 (HSP70) protein, MAGNESIUM ION, SULFATE ION | Authors: | Pizarro, J.C, Wernimont, A.K, Hutchinson, A, Sullivan, H, Lew, J, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Hui, R, Hills, T, Structural Genomics Consortium (SGC) | Deposit date: | 2009-12-24 | Release date: | 2010-02-02 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Crystal structure of the N-terminal domain of HSP70 from Cryptosporidium parvum (CGD2_20) To be Published
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8X5M
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![BU of 8x5m by Molmil](/molmil-images/mine/8x5m) | The Crystal Structure of JNK1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, 3-[4-(dimethylamino)butanoylamino]-~{N}-[3-methyl-4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide, GLYCEROL, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J. | Deposit date: | 2023-11-17 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of JNK1 from Biortus. To Be Published
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4ZDZ
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![BU of 4zdz by Molmil](/molmil-images/mine/4zdz) | Saccharomyces cerevisiae CYP51 (Lanosterol 14-alpha demethylase) Y140F mutant complexed with fluconazole | Descriptor: | 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sagatova, A, Keniya, M.V, Wilson, R.K, Tyndall, J.D.A, Monk, B.C. | Deposit date: | 2015-04-20 | Release date: | 2016-03-30 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Triazole resistance mediated by mutations of a conserved active site tyrosine in fungal lanosterol 14 alpha-demethylase. Sci Rep, 6, 2016
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6QJ7
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8X23
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![BU of 8x23 by Molmil](/molmil-images/mine/8x23) | The Crystal Structure of MAPK13 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, Mitogen-activated protein kinase 13 | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Pan, W. | Deposit date: | 2023-11-09 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Crystal Structure of MAPK13 from Biortus. To Be Published
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8X72
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![BU of 8x72 by Molmil](/molmil-images/mine/8x72) | The Crystal Structure of PLK1 from Biortus. | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wang, F, Cheng, W, Yuan, Z, Lin, D, Wu, B. | Deposit date: | 2023-11-22 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Crystal Structure of PLK1 from Biortus. To Be Published
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4ZEA
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![BU of 4zea by Molmil](/molmil-images/mine/4zea) | Endothiapepsin in complex with fragment B91 | Descriptor: | 1,2-ETHANEDIOL, 2-IMINOBIOTIN, ACETATE ION, ... | Authors: | Huschmann, F.U, Linnik, J, Weiss, M.S, Mueller, U. | Deposit date: | 2015-04-20 | Release date: | 2016-05-04 | Last modified: | 2016-05-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structures of endothiapepsin-fragment complexes from crystallographic fragment screening using a novel, diverse and affordable 96-compound fragment library. Acta Crystallogr.,Sect.F, 72, 2016
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8WP9
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![BU of 8wp9 by Molmil](/molmil-images/mine/8wp9) | Small-heat shock protein from Methanocaldococcus jannaschii, Hsp16.5 | Descriptor: | Small heat shock protein HSP16.5 | Authors: | Lee, J, Ryu, B, Kim, T, Kim, K.K. | Deposit date: | 2023-10-09 | Release date: | 2023-12-27 | Method: | ELECTRON MICROSCOPY (2.49 Å) | Cite: | Cryo-EM structure of a 16.5-kDa small heat-shock protein from Methanocaldococcus jannaschii. Int.J.Biol.Macromol., 258, 2024
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8WE3
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![BU of 8we3 by Molmil](/molmil-images/mine/8we3) | Crystal structure of human FABP4 complexed with C7 | Descriptor: | 2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid, Fatty acid-binding protein, adipocyte | Authors: | Xie, H, Chen, G.F, Xu, Y.C, Li, M.J. | Deposit date: | 2023-09-16 | Release date: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Structure-based design of potent FABP4 inhibitors with high selectivity against FABP3. Eur.J.Med.Chem., 264, 2023
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6QL0
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3LB3
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![BU of 3lb3 by Molmil](/molmil-images/mine/3lb3) | Two-site competitive inhibition in dehaloperoxidase-hemoglobin | Descriptor: | 4-chlorophenol, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | de Serrano, V.S, Franzen, S, Thompson, M.K, Davis, M.F, Nicoletti, F.P, Howes, B.D, Smulevich, G. | Deposit date: | 2010-01-07 | Release date: | 2010-11-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Internal binding of halogenated phenols in dehaloperoxidase-hemoglobin inhibits peroxidase function. Biophys.J., 99, 2010
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