3KRD
 
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6DWD
 | | SAMHD1 Bound to Clofarabine-TP in the Catalytic Pocket and Allosteric Pocket | | Descriptor: | 3,3',3''-phosphanetriyltripropanoic acid, 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Knecht, K.M, Buzovetsky, O, Schneider, C, Thomas, D, Srikanth, V, Kaderali, L, Tofoleanu, F, Reiss, K, Ferreiros, N, Geisslinger, G, Batista, V.S, Ji, X, Cinatl, J, Keppler, O.T, Xiong, Y. | | Deposit date: | 2018-06-26 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The structural basis for cancer drug interactions with the catalytic and allosteric sites of SAMHD1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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2Y29
 | | Structure of segment KLVFFA from the amyloid-beta peptide (Ab, residues 16-21), alternate polymorph III | | Descriptor: | AMYLOID BETA A4 PROTEIN | | Authors: | Colletier, J, Laganowsky, A, Sawaya, M.R, Eisenberg, D. | | Deposit date: | 2010-12-14 | | Release date: | 2011-10-26 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular Basis for Amyloid-{Beta} Polymorphism.
Proc.Natl.Acad.Sci.USA, 108, 2011
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4F21
 | | Crystal structure of carboxylesterase/phospholipase family protein from Francisella tularensis | | Descriptor: | Carboxylesterase/phospholipase family protein, N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide, bound form | | Authors: | Filippova, E.V, Minasov, G, Kuhn, M, Wawrzak, Z, Shuvalova, L, Dubrovska, I, Winsor, J.R, Kiryukhina, O, Becker, D.P, Armoush, N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2012-05-07 | | Release date: | 2012-08-29 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Large scale structural rearrangement of a serine hydrolase from Francisella tularensis facilitates catalysis.
J.Biol.Chem., 288, 2013
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5KW2
 | | The extra-helical binding site of GPR40 and the structural basis for allosteric agonism and incretin stimulation | | Descriptor: | (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid, Free fatty acid receptor 1,Lysozyme,Free fatty acid receptor 1 | | Authors: | Ho, J.D, Chau, B, Rodgers, L, Lu, F, Wilbur, K.L, Otto, K.A, Chen, Y, Song, M, Riley, J.P, Yang, H.-C, Reynolds, N.A, Kahl, S.D, Lewis, A.P, Groshong, C, Madsen, R.E, Conners, K, Linswala, J.P, Gheyi, T, Saflor, M.D, Lee, M.R, Benach, J, Baker, K.A, Montrose-Rafizadeh, C, Genin, M.J, Miller, A.R, Hamdouchi, C. | | Deposit date: | 2016-07-15 | | Release date: | 2018-05-02 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.76 Å) | | Cite: | Structural basis for GPR40 allosteric agonism and incretin stimulation.
Nat Commun, 9, 2018
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3KVE
 | | Structure of native L-amino acid oxidase from Vipera ammodytes ammodytes: stabilization of the quaternary structure by divalent ions and structural changes in the dynamic active site | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, L-amino acid oxidase, ... | | Authors: | Gergiova, D, Murakami, M.T, Perbandt, M, Arni, R.K, Betzel, C. | | Deposit date: | 2009-11-30 | | Release date: | 2010-10-13 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Structure of native L-amino acid oxidase from Vipera ammodytes ammodytes: stabilization of the quaternary structure by divalent ions and structural changes in the dynamic active site
To be Published
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1HZ5
 | | CRYSTAL STRUCTURES OF THE B1 DOMAIN OF PROTEIN L FROM PEPTOSTREPTOCOCCUS MAGNUS, WITH A TYROSINE TO TRYPTOPHAN SUBSTITUTION | | Descriptor: | PROTEIN L, ZINC ION | | Authors: | O'Neill, J.W, Kim, D.E, Baker, D, Zhang, K.Y.J. | | Deposit date: | 2001-01-23 | | Release date: | 2001-04-04 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of the B1 domain of protein L from Peptostreptococcus magnus with a tyrosine to tryptophan substitution.
Acta Crystallogr.,Sect.D, 57, 2001
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2FXS
 | | Yeast HSP82 in complex with the novel HSP90 Inhibitor Radamide | | Descriptor: | ATP-dependent molecular chaperone HSP82, GLYCEROL, METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE | | Authors: | Immormino, R.M, Gewirth, D.T. | | Deposit date: | 2006-02-06 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Different poses for ligand and chaperone in inhibitor-bound Hsp90 and GRP94: implications for paralog-specific drug design.
J.Mol.Biol., 388, 2009
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5VND
 | | Crystal structure of FGFR1-Y563C (FGFR4 surrogate) covalently bound to H3B-6527 | | Descriptor: | 1,2-ETHANEDIOL, Fibroblast growth factor receptor 1, N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](methyl)amino}pyrimidin-4-yl)amino]-5-(4-ethylpiperazin-1-yl)phenyl}propanamide, ... | | Authors: | Tsai, J.H.C, Reynolds, D, Fekkes, P, Smith, P, Larsen, N.A. | | Deposit date: | 2017-04-30 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | H3B-6527 Is a Potent and Selective Inhibitor of FGFR4 in FGF19-Driven Hepatocellular Carcinoma.
Cancer Res., 77, 2017
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2Y2B
 | | crystal structure of AmpD in complex with reaction products | | Descriptor: | 1,6-ANHYDRO-N-ACETYLMURAMYL-L-ALANINE AMIDASE AMPD, 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, L-ALA-GAMMA-D-GLU-MESO-DIAMINOPIMELIC ACID, ... | | Authors: | Carrasco-Lopez, C, Rojas-Altuve, A, Zhang, W, Hesek, D, Lee, M, Barbe, S, Andre, I, Silva-Martin, N, Martinez-Ripoll, M, Mobashery, S, Hermoso, J.A. | | Deposit date: | 2010-12-14 | | Release date: | 2011-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal Structures of Bacterial Peptidoglycan Amidase Ampd and an Unprecedented Activation Mechanism.
J.Biol.Chem., 286, 2011
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1HYK
 | | AGOUTI-RELATED PROTEIN (87-132) (AC-AGRP(87-132)) | | Descriptor: | AGOUTI RELATED PROTEIN | | Authors: | Bolin, K.A, Anderson, D.J, Trulson, J.A, Thompson, D.A, Wilken, J, Kent, S.B.H, Millhauser, G.L. | | Deposit date: | 2001-01-19 | | Release date: | 2001-02-07 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | NMR structure of a minimized human agouti related protein prepared by total chemical synthesis.
FEBS Lett., 451, 1999
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2XDW
 | | Inhibition of Prolyl Oligopeptidase with a Synthetic Unnatural Dipeptide | | Descriptor: | GLYCEROL, Prolyl endopeptidase, SYNTHETIC PEPTIDE PHQ-PRO-YCP, ... | | Authors: | Racys, D.T, Rea, D, Fulop, V, Wills, M. | | Deposit date: | 2010-05-09 | | Release date: | 2010-06-23 | | Last modified: | 2024-08-07 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Inhibition of Prolyl Oligopeptidase with a Synthetic Unnatural Dipeptide
Bioorg.Med.Chem., 18, 2010
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6QU3
 | | Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb360 | | Descriptor: | 1-[(3,4-dichlorophenyl)methyl]-7~{H}-pyrrolo[3,2-c]pyridin-4-one, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ... | | Authors: | McNae, I.W, Dornan, J, Walkinshaw, M.D. | | Deposit date: | 2019-02-26 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
Nat Commun, 12, 2021
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6X2Z
 | | hEAAT3-OFS-Asp | | Descriptor: | ASPARTIC ACID, Excitatory amino acid transporter 3, SODIUM ION | | Authors: | Qiu, B, Matthies, D, Boudker, O. | | Deposit date: | 2020-05-21 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
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6X3E
 | | hEAAT3-Asymmetric-1o2i | | Descriptor: | ASPARTIC ACID, Excitatory amino acid transporter 3, SODIUM ION | | Authors: | Qiu, B, Matthies, D, Boudker, O. | | Deposit date: | 2020-05-21 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.42 Å) | | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
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6WQU
 | | CSL (RBPJ) bound to Notch3 RAM and DNA | | Descriptor: | DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*GP*GP*T)-3'), DNA (5'-D(*TP*TP*AP*CP*CP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)-3'), Neurogenic locus notch homolog protein 3, ... | | Authors: | Kovall, R.A, Gagliani, E, Hall, D. | | Deposit date: | 2020-04-29 | | Release date: | 2021-03-31 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | PIM-induced phosphorylation of Notch3 promotes breast cancer tumorigenicity in a CSL-independent fashion.
J.Biol.Chem., 296, 2021
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6X3F
 | | hEAAT3-IFS-Apo | | Descriptor: | CHOLINE ION, Excitatory amino acid transporter 3 | | Authors: | Qiu, B, Matthies, D, Boudker, O. | | Deposit date: | 2020-05-21 | | Release date: | 2021-03-17 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.03 Å) | | Cite: | Cryo-EM structures of excitatory amino acid transporter 3 visualize coupled substrate, sodium, and proton binding and transport.
Sci Adv, 7, 2021
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6R0H
 | | Glycogen Phosphorylase b in complex with 3 | | Descriptor: | 3-(4-fluorophenyl)-~{N}-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]benzamide, Glycogen phosphorylase, muscle form, ... | | Authors: | Tsagkarakou, S.A, Koulas, M.S, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2019-03-13 | | Release date: | 2019-04-10 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors.
Molecules, 24, 2019
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6R0I
 | | Glycogen Phosphorylase b in complex with 4 | | Descriptor: | Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Koulas, M.S, Tsagkarakou, S.A, Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | | Deposit date: | 2019-03-13 | | Release date: | 2019-04-17 | | Last modified: | 2019-04-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | High Consistency of Structure-Based Design and X-Ray Crystallography: Design, Synthesis, Kinetic Evaluation and Crystallographic Binding Mode Determination of Biphenyl-N-acyl-beta-d-Glucopyranosylamines as Glycogen Phosphorylase Inhibitors.
Molecules, 24, 2019
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4F52
 | | Structure of a Glomulin-RBX1-CUL1 complex | | Descriptor: | Cullin-1, E3 ubiquitin-protein ligase RBX1, Glomulin, ... | | Authors: | Duda, D.M, Olszewski, J.L, Schulman, B.A. | | Deposit date: | 2012-05-11 | | Release date: | 2012-09-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structure of a Glomulin-RBX1-CUL1 Complex: Inhibition of a RING E3 Ligase through Masking of Its E2-Binding Surface.
Mol.Cell, 47, 2012
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3U5P
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4F7F
 | | Structure of Anopheles gambiae odorant binding protein 20 | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, AGAP005208-PA, NONAETHYLENE GLYCOL | | Authors: | Jones, D.N, Ziemba, B.P. | | Deposit date: | 2012-05-16 | | Release date: | 2012-10-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | A novel mechanism of ligand binding and release in the odorant binding protein 20 from the malaria mosquito Anopheles gambiae.
Protein Sci., 22, 2013
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5DMM
 | | Crystal Structure of the Homocysteine Methyltransferase MmuM from Escherichia coli, Metallated form | | Descriptor: | 2-AMINO-4-MERCAPTO-BUTYRIC ACID, BETA-MERCAPTOETHANOL, Homocysteine S-methyltransferase, ... | | Authors: | Li, K, Li, G, Bradbury, L.M.T, Andrew, H.D, Bruner, S.D. | | Deposit date: | 2015-09-09 | | Release date: | 2015-11-25 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.779 Å) | | Cite: | Crystal structure of the homocysteine methyltransferase MmuM from Escherichia coli.
Biochem.J., 473, 2016
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4F8N
 | | X-ray structure of PsaA from Yersinia pestis, in complex with galactose and phosphate choline | | Descriptor: | CHLORIDE ION, GUANIDINE, PHOSPHOCHOLINE, ... | | Authors: | Bao, R, Esser, L, Xia, D. | | Deposit date: | 2012-05-17 | | Release date: | 2013-05-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Structural basis for the specific recognition of dual receptors by the homopolymeric pH 6 antigen (Psa) fimbriae of Yersinia pestis.
Proc.Natl.Acad.Sci.USA, 110, 2013
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6QU4
 | | Crystal Structure of Phosphofructokinase from Trypanosoma brucei in complex with an allosteric inhibitor ctcb405 | | Descriptor: | 1-[(3,4-dichlorophenyl)methyl]-5-[2-(dimethylamino)ethyl]pyrrolo[3,2-c]pyridin-4-one, ATP-dependent 6-phosphofructokinase, CITRIC ACID, ... | | Authors: | McNae, I.W, Dornan, J, Walkinshaw, M.D. | | Deposit date: | 2019-02-26 | | Release date: | 2020-03-18 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Fast acting allosteric phosphofructokinase inhibitors block trypanosome glycolysis and cure acute African trypanosomiasis in mice.
Nat Commun, 12, 2021
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