4JMG
 
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4JN2
 | | An Antidote for Dabigatran | | Descriptor: | GLYCEROL, N-[(2-{[(4-carbamimidoylphenyl)amino]methyl}-1-methyl-1H-benzimidazol-5-yl)carbonyl]-N-pyridin-2-yl-beta-alanine, anti dabigatran Fab | | Authors: | Schiele, F, Nar, H. | | Deposit date: | 2013-03-14 | | Release date: | 2013-03-27 | | Last modified: | 2015-03-11 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | A specific antidote for dabigatran: functional and structural characterization.
Blood, 121, 2013
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4N06
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5NBA
 | | Complement factor D in complex with the inhibitor (2S,4R)-4-Fluoro-pyrrolidine-1,2-dicarboxylic acid 1-[(1-carbamoyl-1H-indol-3-yl)-amide] 2-[(3-trifluoromethoxy-phenyl)-amide] | | Descriptor: | (2~{S},4~{R})-~{N}1-(1-aminocarbonylindol-3-yl)-4-fluoranyl-~{N}2-[3-(trifluoromethyloxy)phenyl]pyrrolidine-1,2-dicarboxamide, Complement factor D | | Authors: | Mac Sweeney, A, Ostermann, N. | | Deposit date: | 2017-03-01 | | Release date: | 2017-06-28 | | Last modified: | 2017-07-26 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Discovery of Highly Potent and Selective Small-Molecule Reversible Factor D Inhibitors Demonstrating Alternative Complement Pathway Inhibition in Vivo.
J. Med. Chem., 60, 2017
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4J03
 | | Crystal structure of human soluble epoxide hydrolase complexed with fulvestrant | | Descriptor: | (7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol, Bifunctional epoxide hydrolase 2, MAGNESIUM ION, ... | | Authors: | Morisseau, C, Pakhomova, S, Hwang, S.H, Newcomer, M.E, Hammock, B.D. | | Deposit date: | 2013-01-30 | | Release date: | 2013-06-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Inhibition of soluble epoxide hydrolase by fulvestrant and sulfoxides.
Bioorg.Med.Chem.Lett., 23, 2013
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8K6Z
 | | NMR structure of human leptin | | Descriptor: | Leptin | | Authors: | Fan, X, Qin, R, Yuan, W, Fan, J, Huang, W, Lin, Z. | | Deposit date: | 2023-07-26 | | Release date: | 2024-02-07 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The solution structure of human leptin reveals a conformational plasticity important for receptor recognition.
Structure, 32, 2024
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4RED
 | | Crystal structure of human AMPK alpha1 KD-AID with K43A mutation | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1 | | Authors: | Zhou, X.E, Ke, J, Li, X, Wang, L, Gu, X, de Waal, P.W, Tan, M.H.E, Wang, D, Wu, D, Xu, H.E, Melcher, K. | | Deposit date: | 2014-09-22 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural basis of AMPK regulation by adenine nucleotides and glycogen.
Cell Res., 25, 2015
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7OTI
 | | Structure of ABCB1/P-glycoprotein in apo state | | Descriptor: | Multidrug resistance protein 1A | | Authors: | Ford, R.C, Barbieri, A, Thonghin, N, Shafi, T, Prince, S.M, Collins, R.F. | | Deposit date: | 2021-06-10 | | Release date: | 2021-12-08 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure of ABCB1/P-Glycoprotein in the Presence of the CFTR Potentiator Ivacaftor.
Membranes (Basel), 11, 2021
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5MX5
 | | Mouse PA28alpha-beta | | Descriptor: | PHOSPHATE ION, Proteasome activator complex subunit 1, Proteasome activator complex subunit 2 | | Authors: | Huber, E.M, Groll, M. | | Deposit date: | 2017-01-20 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Mammalian Proteasome Activator PA28 Forms an Asymmetric alpha 4 beta 3 Complex.
Structure, 25, 2017
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7OTG
 | | Structure of ABCB1/P-glycoprotein in the presence of the CFTR potentiator ivacaftor | | Descriptor: | Multidrug resistance protein 1A, N-(2,4-di-tert-butyl-5-hydroxyphenyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide | | Authors: | Ford, R.C, Barbieri, A, Thonghin, N, Shafi, T, Prince, S.M, Collins, R.F. | | Deposit date: | 2021-06-10 | | Release date: | 2021-12-08 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Structure of ABCB1/P-Glycoprotein in the Presence of the CFTR Potentiator Ivacaftor.
Membranes (Basel), 11, 2021
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4JQ7
 | | Crystal structure of EGFR kinase domain in complex with compound 2a | | Descriptor: | (2S)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol, Epidermal growth factor receptor | | Authors: | Peng, Y.H, Wu, J.S. | | Deposit date: | 2013-03-20 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Protein Kinase Inhibitor Design by Targeting the Asp-Phe-Gly (DFG) Motif: The Role of the DFG Motif in the Design of Epidermal Growth Factor Receptor Inhibitors
J.Med.Chem., 56, 2013
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4JXS
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4NQX
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4LUS
 | | alanine racemase [Clostridium difficile 630] | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, Alanine racemase, GLYCEROL | | Authors: | Asojo, O.A. | | Deposit date: | 2013-07-25 | | Release date: | 2014-06-04 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and biochemical analyses of alanine racemase from the multidrug-resistant Clostridium difficile strain 630.
Acta Crystallogr.,Sect.D, 70, 2014
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4LZJ
 | | Crystal Structure of MurQ from H.influenzae with bound inhibitor | | Descriptor: | 2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-6-O-phosphono-D-glucitol, N-acetylmuramic acid 6-phosphate etherase, PHOSPHATE ION | | Authors: | Hazra, S, Blanchard, J. | | Deposit date: | 2013-07-31 | | Release date: | 2014-02-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.405 Å) | | Cite: | Structure of MurNAc 6-phosphate hydrolase (MurQ) from Haemophilus influenzae with a bound inhibitor.
Biochemistry, 52, 2013
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4QU6
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4JRV
 | | Crystal structure of EGFR kinase domain in complex with compound 4c | | Descriptor: | 4-(dimethylamino)-N-[3-(4-{[(1S)-2-hydroxy-1-phenylethyl]amino}-6-phenylfuro[2,3-d]pyrimidin-5-yl)phenyl]butanamide, Epidermal growth factor receptor | | Authors: | Peng, Y.H, Wu, J.S. | | Deposit date: | 2013-03-22 | | Release date: | 2013-06-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Protein Kinase Inhibitor Design by Targeting the Asp-Phe-Gly (DFG) Motif: The Role of the DFG Motif in the Design of Epidermal Growth Factor Receptor Inhibitors
J.Med.Chem., 56, 2013
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4JMH
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4JLF
 | | Inhibitor resistant (R220A) substitution in the Mycobacterium tuberculosis beta-lactamase | | Descriptor: | Beta-lactamase, PHOSPHATE ION | | Authors: | Hazra, S, Kurz, S, Blanchard, J, Bonomo, R. | | Deposit date: | 2013-03-12 | | Release date: | 2013-10-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Can inhibitor-resistant substitutions in the Mycobacterium tuberculosis beta-Lactamase BlaC lead to clavulanate resistance?: a biochemical rationale for the use of beta-lactam-beta-lactamase inhibitor combinations.
Antimicrob.Agents Chemother., 57, 2013
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4NP7
 | | Structure of phosphotriesterase mutant (S308L/Y309A) from Agrobacterium radiobacter with diethyl thiophosphate bound in the active site | | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, FE (II) ION, ... | | Authors: | Jackson, C.J, Carr, P.D, Sugrue, E. | | Deposit date: | 2013-11-20 | | Release date: | 2014-09-24 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | A 5000-fold increase in the specificity of a bacterial phosphotriesterase for malathion through combinatorial active site mutagenesis
Plos One, 9, 2014
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4JGG
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4JK5
 | | Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Ser) | | Descriptor: | 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ... | | Authors: | Buth, S.A, Leiman, P.G, Chen, S, Heinis, C. | | Deposit date: | 2013-03-09 | | Release date: | 2013-07-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids.
Chembiochem, 14, 2013
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4OIC
 | | Crystal structrual of a soluble protein | | Descriptor: | (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Bet v I allergen-like, CHLORIDE ION, ... | | Authors: | He, Y, Hao, Q, Li, W, Yan, C, Yan, N, Yin, P. | | Deposit date: | 2014-01-19 | | Release date: | 2015-01-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Identification and characterization of ABA receptors in Oryza sativa
Plos One, 9, 2014
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4OLG
 | | Crystal structure of AmpC beta-lactamase in complex with covalently bound N-formyl 7-aminocephalosporanic acid | | Descriptor: | (2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Shoichet, B.K, Barelier, S. | | Deposit date: | 2014-01-23 | | Release date: | 2014-05-28 | | Last modified: | 2014-06-18 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Substrate deconstruction and the nonadditivity of enzyme recognition.
J.Am.Chem.Soc., 136, 2014
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4OM1
 | | Crystal structure of antibody VRC07-I30Q, G54W, S58N in complex with clade A/E 93TH057 HIV-1 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ... | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2014-01-25 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.131 Å) | | Cite: | Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
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