4JMW
 
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4JPT
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with quinazoline-2,4-diamine | | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-19 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JPL
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Azaindole | | Descriptor: | 1H-pyrrolo[3,2-b]pyridine, Cytochrome c peroxidase, PHOSPHATE ION, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-19 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JQK
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-(2-aminopyridin-1-ium-1-yl)ethanol | | Descriptor: | 2-(2-aminopyridin-1-ium-1-yl)ethanol, Cytochrome c peroxidase, PHOSPHATE ION, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-20 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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4JM6
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,4-diaminopyrimidine | | Descriptor: | Cytochrome c peroxidase, PHOSPHATE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I. | | Deposit date: | 2013-03-13 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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7FW4
 | | Crystal Structure of human FABP4 soaked with glycerol | | Descriptor: | Fatty acid-binding protein, adipocyte, GLYCEROL, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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4JM5
 | | Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2-Amino-5-methylthiazole | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-5-METHYLTHIAZOLE, Cytochrome c peroxidase, ... | | Authors: | Boyce, S.E, Fischer, M, Fish, I, Shoichet, B.K. | | Deposit date: | 2013-03-13 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.26 Å) | | Cite: | Blind prediction of charged ligand binding affinities in a model binding site.
J.Mol.Biol., 425, 2013
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5YAG
 | | Crystal structure of mosquito arylalkylamine N-Acetyltransferase like 5b/spermine N-Acetyltransferase | | Descriptor: | AAEL004827-PA, GLYCEROL | | Authors: | Han, Q, Guan, H, Robinson, H, Li, J. | | Deposit date: | 2017-08-31 | | Release date: | 2018-02-28 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Identification of aaNAT5b as a spermine N-acetyltransferase in the mosquito, Aedes aegypti.
PLoS ONE, 13, 2018
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2TN4
 | | FOUR CALCIUM TNC | | Descriptor: | CALCIUM ION, TROPONIN C | | Authors: | Love, M.L, Dominguez, R, Houdusse, A, Cohen, C. | | Deposit date: | 1997-09-18 | | Release date: | 1998-04-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of four Ca2+-bound troponin C at 2.0 A resolution: further insights into the Ca2+-switch in the calmodulin superfamily.
Structure, 5, 1997
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1JVJ
 | | CRYSTAL STRUCTURE OF N132A MUTANT OF TEM-1 BETA-LACTAMASE IN COMPLEX WITH A N-FORMIMIDOYL-THIENAMYCINE | | Descriptor: | (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carbox ylic acid, BETA-LACTAMASE TEM, POTASSIUM ION | | Authors: | Wang, X, Minasov, G, Shoichet, B.K. | | Deposit date: | 2001-08-30 | | Release date: | 2002-03-06 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Noncovalent interaction energies in covalent complexes: TEM-1 beta-lactamase and beta-lactams.
Proteins, 47, 2002
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1KD8
 | | X-RAY STRUCTURE OF THE COILED COIL GCN4 ACID BASE HETERODIMER ACID-d12Ia16V BASE-d12La16L | | Descriptor: | GCN4 ACID BASE HETERODIMER ACID-d12Ia16V, GCN4 ACID BASE HETERODIMER BASE-d12La16L | | Authors: | Keating, A.E, Malashkevich, V.N, Tidor, B, Kim, P.S. | | Deposit date: | 2001-11-12 | | Release date: | 2001-11-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Side-chain repacking calculations for predicting structures and stabilities of heterodimeric coiled coils.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1KD9
 | | X-RAY STRUCTURE OF THE COILED COIL GCN4 ACID BASE HETERODIMER ACID-d12La16L BASE-d12La16L | | Descriptor: | GCN4 ACID BASE HETERODIMER ACID-d12La16L, GCN4 ACID BASE HETERODIMER BASE-d12La16L | | Authors: | Keating, A.E, Malashkevich, V.N, Tidor, B, Kim, P.S. | | Deposit date: | 2001-11-12 | | Release date: | 2001-11-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Side-chain repacking calculations for predicting structures and stabilities of heterodimeric coiled coils.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1KDD
 | | X-ray structure of the coiled coil GCN4 ACID BASE HETERODIMER ACID-d12La16I BASE-d12La16L | | Descriptor: | GCN4 ACID BASE HETERODIMER ACID-d12La16I, GCN4 ACID BASE HETERODIMER BASE-d12La16L | | Authors: | Keating, A.E, Malashkevich, V.N, Tidor, B, Kim, P.S. | | Deposit date: | 2001-11-12 | | Release date: | 2001-11-28 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Side-chain repacking calculations for predicting structures and stabilities of heterodimeric coiled coils.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1LVY
 | | PORCINE ELASTASE | | Descriptor: | CALCIUM ION, ELASTASE, SULFATE ION | | Authors: | Schiltz, M, Prange, T. | | Deposit date: | 1996-07-20 | | Release date: | 1997-01-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | High-pressure krypton gas and statistical heavy-atom refinement: a successful combination of tools for macromolecular structure determination.
Acta Crystallogr.,Sect.D, 53, 1997
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1E5Q
 | | Ternary complex of saccharopine reductase from Magnaporthe grisea, NADPH and saccharopine | | Descriptor: | N-(5-AMINO-5-CARBOXYPENTYL)GLUTAMIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Saccharopine dehydrogenase [NADP(+), ... | | Authors: | Johansson, E, Steffens, J.J, Lindqvist, Y, Schneider, G. | | Deposit date: | 2000-07-28 | | Release date: | 2000-12-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal Structure of Saccharopine Reductase from Magnaporthe Grisea, an Enzyme of the Alpha-Aminoadipate Pathway of Lysine Biosynthesis
Structure, 8, 2000
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6EOY
 | | Transthyretin in complex with 4-(1,3-Benzothiazol-2-yl)-2-methylaniline | | Descriptor: | 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline, Transthyretin | | Authors: | Leite, J.P, Gales, L. | | Deposit date: | 2017-10-10 | | Release date: | 2021-10-06 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.38 Å) | | Cite: | Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease.
Eur.J.Med.Chem., 226, 2021
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5IFM
 | | Human NONO (p54nrb) Homodimer | | Descriptor: | CHLORIDE ION, GLYCEROL, Non-POU domain-containing octamer-binding protein, ... | | Authors: | Knott, G.J, Bond, C.S. | | Deposit date: | 2016-02-26 | | Release date: | 2016-11-09 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A crystallographic study of human NONO (p54(nrb)): overcoming pathological problems with purification, data collection and noncrystallographic symmetry.
Acta Crystallogr D Struct Biol, 72, 2016
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8IVJ
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5BOP
 | | Crystal structure of the artificial nanobody octarellinV.1 complex | | Descriptor: | Nanobody, Octarellin V.1 | | Authors: | Figueroa, M, Sleutel, M, Pardon, E, Steyaert, J, Martial, J.A, van de Weerdt, C. | | Deposit date: | 2015-05-27 | | Release date: | 2016-05-25 | | Last modified: | 2016-06-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The unexpected structure of the designed protein Octarellin V.1 forms a challenge for protein structure prediction tools.
J.Struct.Biol., 195, 2016
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8JD9
 | | Cyro-EM structure of the Na+/H+ antipoter SOS1 from Arabidopsis thaliana,class1 | | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Sodium/hydrogen exchanger 7 | | Authors: | Yang, G.H, Zhang, Y.M, Zhou, J.Q, Jia, Y.T, Xu, X, Fu, P, Wu, H.Y. | | Deposit date: | 2023-05-13 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (2.87 Å) | | Cite: | Structural basis for the activity regulation of Salt Overly Sensitive 1 in Arabidopsis salt tolerance.
Nat.Plants, 9, 2023
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8JDA
 | | Cyro-EM structure of the Na+/H+ antipoter SOS1 from Arabidopsis thaliana,class2 | | Descriptor: | Sodium/hydrogen exchanger 7 | | Authors: | Yang, G.H, Zhang, Y.M, Zhou, J.Q, Jia, Y.T, Xu, X, Fu, P, Wu, H.Y. | | Deposit date: | 2023-05-13 | | Release date: | 2023-11-08 | | Last modified: | 2023-11-29 | | Method: | ELECTRON MICROSCOPY (3.67 Å) | | Cite: | Structural basis for the activity regulation of Salt Overly Sensitive 1 in Arabidopsis salt tolerance.
Nat.Plants, 9, 2023
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8OJM
 | | Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-D-galacto-heptonamide | | Descriptor: | (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ... | | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | | Deposit date: | 2023-03-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
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8OJI
 | | Galectin-3 in complex with Methyl 2,6-anhydro-3-deoxy-3-S-(b-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonate | | Descriptor: | 1-thio-beta-D-galactopyranose, CHLORIDE ION, Galectin-3, ... | | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | | Deposit date: | 2023-03-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
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8OJK
 | | Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonamide | | Descriptor: | (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ... | | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | | Deposit date: | 2023-03-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
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8OJO
 | | Galectin-3 in complex with 2,6-Anhydro-5-S-(beta-D-galactopyranosyl)-5-thio-D-altritol | | Descriptor: | 1-deoxy-alpha-D-mannopyranose, 1-thio-beta-D-galactopyranose, Galectin-3, ... | | Authors: | Tsagkarakou, A.S, Leonidas, D.D. | | Deposit date: | 2023-03-24 | | Release date: | 2023-09-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds.
J.Med.Chem., 66, 2023
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