1J15
 
 | | BENZAMIDINE IN COMPLEX WITH RAT TRYPSIN MUTANT X99/175/190RT | | Descriptor: | BENZAMIDINE, CALCIUM ION, SULFATE ION, ... | | Authors: | Stubbs, M.T. | | Deposit date: | 2002-11-30 | | Release date: | 2002-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Reconstructing the Binding Site of Factor Xa in Trypsin Reveals Ligand-induced Structural Plasticity
J.MOL.BIOL., 325, 2003
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4DLU
 | | H-Ras Set 1 Ca(OAc)2, on | | Descriptor: | ACETATE ION, CALCIUM ION, GTPase HRas, ... | | Authors: | Holzapfel, G, Mattos, C. | | Deposit date: | 2012-02-06 | | Release date: | 2012-08-08 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
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7WXS
 | | Lysozyme protected by polyacrylamide gel | | Descriptor: | CHLORIDE ION, GLYCEROL, Lysozyme C, ... | | Authors: | Muroyama, H, Tomoike, F, Nagae, T, Okada, T. | | Deposit date: | 2022-02-15 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Post-crystallization protection of protein crystals by polyacrylamide
To Be Published
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3QJD
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7WZC
 | | An open conformation Form2 of switch II for RhoA GDP-bound state | | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Jiang, H, Luo, C. | | Deposit date: | 2022-02-17 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.79944921 Å) | | Cite: | A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region.
J.Struct.Biol., 215, 2023
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4AB9
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-(2,3-dihydro-1-benzofuran-5-yl)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 (1.2 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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7WZL
 | | Crystal structure of Cytochrome P450 184A1 from streptomyces avermitilis | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Putative cytochrome P450 | | Authors: | Kim, V.C, Kim, D.G, Lee, S.G, Lee, G.H, Lee, S.A, Kang, L.W. | | Deposit date: | 2022-02-18 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of Cytochrome P450 184A1 from streptomyces avermitilis
To Be Published
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2WM5
 | | X-ray structure of the substrate-free Mycobacterium tuberculosis cytochrome P450 CYP124 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, PUTATIVE CYTOCHROME P450 124 | | Authors: | Johnston, J.B, Kells, P.M, Podust, L.M, Ortiz de Montellano, P.R. | | Deposit date: | 2009-06-30 | | Release date: | 2009-10-06 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Biochemical and structural characterization of CYP124: a methyl-branched lipid omega-hydroxylase from Mycobacterium tuberculosis.
Proc. Natl. Acad. Sci. U.S.A., 106, 2009
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7WW3
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7WZA
 | | An open conformation Form 1 of switch II for RhoA | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein RhoA | | Authors: | Jiang, H, Luo, C. | | Deposit date: | 2022-02-17 | | Release date: | 2023-02-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.50028777 Å) | | Cite: | A RhoA structure with switch II flipped outward revealed the conformational dynamics of switch II region.
J.Struct.Biol., 215, 2023
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3QBF
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4AK0
 | | Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin | | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN | | Authors: | Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I. | | Deposit date: | 2012-02-21 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec.
Biochemistry, 52, 2013
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4AK8
 | | Structure of F241L mutant of langerin carbohydrate recognition domain. | | Descriptor: | C-TYPE LECTIN DOMAIN FAMILY 4 MEMBER K, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Chabrol, E, Thepaut, M, Dezutter-Dambuyant, C, Vives, C, Marcoux, J, Kahn, R, Valadeau-Guilemond, J, Vachette, P, Durand, D, Fieschi, F. | | Deposit date: | 2012-02-22 | | Release date: | 2013-04-03 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Alteration of the Langerin Oligomerization State Affects Birbeck Granule Formation.
Biophys.J., 108, 2015
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4DPF
 | | BACE-1 in complex with a HEA-macrocyclic type inhibitor | | Descriptor: | Beta-secretase 1, N-[(4S,8E,11S)-4-[(1R)-1-hydroxy-2-{[3-(propan-2-yl)benzyl]amino}ethyl]-2,13-dioxo-11-phenyl-6-oxa-3,12-diazabicyclo[12.3.1]octadeca-1(18),8,14,16-tetraen-16-yl]-N-methylmethanesulfonamide | | Authors: | Lindberg, J, Borkakoti, N, Derbyshire, D. | | Deposit date: | 2012-02-13 | | Release date: | 2012-07-11 | | Last modified: | 2013-01-02 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Highly potent macrocyclic BACE-1 inhibitors incorporating a hydroxyethylamine core: design, synthesis and X-ray crystal structures of enzyme inhibitor complexes.
Bioorg.Med.Chem., 20, 2012
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4DQ3
 | | Bovine beta-lactoglobulin complex with oleic acid | | Descriptor: | Beta-lactoglobulin, ETHANOL, GLYCEROL, ... | | Authors: | Loch, J.I, Lewinski, K. | | Deposit date: | 2012-02-15 | | Release date: | 2012-02-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Binding of 18-carbon unsaturated fatty acids to bovine beta-lactoglobulin--structural and thermodynamic studies.
Int.J.Biol.Macromol., 57, 2013
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7XLP
 | | MEK1 bound to DS03090629 | | Descriptor: | (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine, CALCIUM ION, DIMETHYL SULFOXIDE, ... | | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | Deposit date: | 2022-04-22 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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7X53
 | | cytochrome P450 monooxygenase | | Descriptor: | Cytochrome P450 family protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Yan, Y, Zheng, C. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Structure of cytochrome P450 monooxygenase at 3.35 Angstroms resolution.
To Be Published
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4AHE
 | | K17I - Angiogenin mutants and amyotrophic lateral sclerosis - a biochemical and biological analysis | | Descriptor: | ANGIOGENIN, L(+)-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 (2.08 Å) | | Cite: | Structural and Molecular Insights Into the Mechanism of Action of Human Angiogenin-Als Variants in Neurons.
Nat.Commun., 3, 2012
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4DST
 | | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity | | Descriptor: | 1,2-ETHANEDIOL, 2-(4,6-dichloro-2-methyl-1H-indol-3-yl)ethanamine, ACETATE ION, ... | | Authors: | Oh, A, Maurer, T, Garrenton, L.S, Pitts, K, Anderson, D.J, Skelton, N.J, Fauber, B.P, Pan, B, Malek, S, Stokoe, D, Ludlam, M, Bowman, K.K, Wu, J, Giannetti, A.M, Starovasnik, M.A, Mellman, I, Jackson, P.K, Ruldolph, J, Fang, G, Wang, W. | | Deposit date: | 2012-02-19 | | Release date: | 2012-04-04 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity.
Proc.Natl.Acad.Sci.USA, 109, 2012
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7XNC
 | | MEK1 bound to DS94070624 | | Descriptor: | CALCIUM ION, DIMETHYL SULFOXIDE, Dual specificity mitogen-activated protein kinase kinase 1, ... | | Authors: | Kishikawa, S, Takano, K, Ubukata, O, Hanzawa, H. | | Deposit date: | 2022-04-28 | | Release date: | 2023-03-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of a Novel ATP-Competitive MEK Inhibitor DS03090629 that Overcomes Resistance Conferred by BRAF Overexpression in BRAF-Mutated Melanoma.
Mol.Cancer Ther., 22, 2023
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3Q9P
 | | HspB1 fragment | | Descriptor: | Heat shock protein beta-1 | | Authors: | Baranova, E.V, Beelen, S, Gusev, N.B, Strelkov, S.V. | | Deposit date: | 2011-01-09 | | Release date: | 2011-07-06 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Three-Dimensional Structure of alpha-Crystallin Domain Dimers of Human Small Heat Shock Proteins HSPB1 and HSPB6
J.Mol.Biol., 2011
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7X2Q
 | | Salvia miltiorrhiza CYP76AH3 | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, Sugiol synthase | | Authors: | Chang, Z. | | Deposit date: | 2022-02-26 | | Release date: | 2023-03-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.68 Å) | | Cite: | Structure of CYP76AH3 at 3.67 Angstroms resolution
To Be Published
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4DTZ
 | | cytochrome P450 BM3h-8C8 MRI sensor bound to dopamine | | Descriptor: | L-DOPAMINE, PROTOPORPHYRIN IX CONTAINING FE, cytochrome P450 BM3 variant 8C8 | | Authors: | Brustad, E.M, Lelyveld, V.S, Snow, C.D, Crook, N, Martinez, F.M, Scholl, T.J, Jasanoff, A, Arnold, F.H. | | Deposit date: | 2012-02-21 | | Release date: | 2012-06-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structure-guided directed evolution of highly selective p450-based magnetic resonance imaging sensors for dopamine and serotonin.
J.Mol.Biol., 422, 2012
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3QFP
 | | Crystal structure of yeast Hsp70 (Bip/Kar2) ATPase domain | | Descriptor: | 78 kDa glucose-regulated protein homolog, PHOSPHATE ION | | Authors: | Yan, M, Li, J.Z, Sha, B.D. | | Deposit date: | 2011-01-22 | | Release date: | 2011-06-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Structural analysis of the Sil1-Bip complex reveals the mechanism for Sil1 to function as a nucleotide-exchange factor.
Biochem.J., 438, 2011
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3QIH
 | | HIV-1 protease (mutant Q7K L33I L63I) in complex with a novel inhibitor | | Descriptor: | (4aS,7aS)-1,4-bis(3-hydroxybenzyl)hexahydro-1H-pyrrolo[3,4-b]pyrazine-2,3-dione, CHLORIDE ION, Protease, ... | | Authors: | Lindemann, I, Heine, A, Klebe, G. | | Deposit date: | 2011-01-27 | | Release date: | 2012-02-01 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | Novel inhibitors for HIV-1 protease
To be Published
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