1IQZ
 
 | | OXIDIZED [4Fe-4S] FERREDOXIN FROM BACILLUS THERMOPROTEOLYTICUS (FORM I) | | Descriptor: | Ferredoxin, IRON/SULFUR CLUSTER, SULFATE ION | | Authors: | Fukuyama, K, Okada, T, Kakuta, Y, Takahashi, Y. | | Deposit date: | 2001-08-30 | | Release date: | 2002-02-13 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Atomic resolution structures of oxidized [4Fe-4S] ferredoxin from Bacillus thermoproteolyticus in two crystal forms: systematic distortion of [4Fe-4S] cluster in the protein.
J.Mol.Biol., 315, 2002
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3WGX
 | | Crystal structure of ERp46 Trx2 in a complex with Prx4 C-term | | Descriptor: | GLYCEROL, Peroxiredoxin-4, Thioredoxin domain-containing protein 5 | | Authors: | Inaba, K, Suzuki, M, Kojima, R. | | Deposit date: | 2013-08-13 | | Release date: | 2014-06-25 | | Method: | X-RAY DIFFRACTION (0.92 Å) | | Cite: | Radically different thioredoxin domain arrangement of ERp46, an efficient disulfide bond introducer of the mammalian PDI family
Structure, 22, 2014
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6TJ8
 | | Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine diphosphate | | Descriptor: | 1,2-ETHANEDIOL, 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, ... | | Authors: | Rabe von Pappenheim, F, Tittmann, K. | | Deposit date: | 2019-11-25 | | Release date: | 2020-07-08 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.921 Å) | | Cite: | Structural basis for antibiotic action of the B 1 antivitamin 2'-methoxy-thiamine.
Nat.Chem.Biol., 16, 2020
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6TE2
 | | Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the 2-aminothiazole-type inhibitor 17 | | Descriptor: | 3-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid, Casein kinase II subunit alpha' | | Authors: | Niefind, K, Lindenblatt, D, Jose, J, Applegate, V.M, Nickelsen, A. | | Deposit date: | 2019-11-11 | | Release date: | 2020-07-08 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (0.922 Å) | | Cite: | Structural and Mechanistic Basis of the Inhibitory Potency of Selected 2-Aminothiazole Compounds on Protein Kinase CK2.
J.Med.Chem., 63, 2020
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6UMY
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7MBO
 | | FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.924 Å) | | Cite: | Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
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3LZT
 | | REFINEMENT OF TRICLINIC LYSOZYME AT ATOMIC RESOLUTION | | Descriptor: | ACETATE ION, LYSOZYME, NITRATE ION | | Authors: | Walsh, M.A, Schneider, T, Sieker, L.C, Dauter, Z, Lamzin, V, Wilson, K.S. | | Deposit date: | 1997-03-23 | | Release date: | 1998-03-25 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (0.925 Å) | | Cite: | Refinement of triclinic hen egg-white lysozyme at atomic resolution.
Acta Crystallogr.,Sect.D, 54, 1998
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6ZSY
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6ROB
 | | Human Carbonic Anhydrase II in complex with 4-cyanobenzenesulfonamide | | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 4-cyanobenzenesulfonamide, Carbonic anhydrase 2, ... | | Authors: | Gloeckner, S, Heine, A, Klebe, G. | | Deposit date: | 2019-05-10 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.929 Å) | | Cite: | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
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6SYW
 | | human Aldose Reductase in complex with SAR25 | | Descriptor: | 2-[2-(cyclopropylmethylcarbamoyl)-5-fluoranyl-phenoxy]ethanoic acid, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Sandner, A, Heine, A, Klebe, G. | | Deposit date: | 2019-10-01 | | Release date: | 2020-10-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | human Aldose Reductase in complex with SAR25
To Be Published
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8AZC
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4R2X
 | | Unique conformation of uridine and asymmetry of the hexameric molecule revealed in the high-resolution structures of Shewanella oneidensis uridine phosphorylase in the free form and in complex with uridine | | Descriptor: | CHLORIDE ION, GLYCEROL, SULFATE ION, ... | | Authors: | Safonova, T.N, Mordkovich, N.N, Manuvera, V.A, Veiko, V.P, Popov, V.O, Polyakov, K.M. | | Deposit date: | 2014-08-13 | | Release date: | 2014-12-10 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | High-syn conformation of uridine and asymmetry of the hexameric molecule revealed in the high-resolution structures of Shewanella oneidensis MR-1 uridine phosphorylase in the free form and in complex with uridine.
Acta Crystallogr.,Sect.D, 70, 2014
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7X50
 | | The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heneicosanoic acid | | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2022-03-03 | | Release date: | 2023-03-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with heneicosanoic acid
To Be Published
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5MNH
 | | Cationic trypsin in complex with benzamidine (deuterated sample at 295 K) | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiebel, J, Heine, A, Klebe, G. | | Deposit date: | 2016-12-13 | | Release date: | 2018-01-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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5MOQ
 | | Joint X-ray/neutron structure of cationic trypsin in complex with benzamidine | | Descriptor: | BENZAMIDINE, CALCIUM ION, Cationic trypsin, ... | | Authors: | Schiebel, J, Schrader, T.E, Ostermann, A, Heine, A, Klebe, G. | | Deposit date: | 2016-12-14 | | Release date: | 2018-02-28 | | Last modified: | 2024-05-01 | | Method: | NEUTRON DIFFRACTION (0.93 Å), X-RAY DIFFRACTION | | Cite: | Intriguing role of water in protein-ligand binding studied by neutron crystallography on trypsin complexes.
Nat Commun, 9, 2018
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7FG1
 | | The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with tridecanoic acid | | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Takahashi, J, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2021-07-25 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with tridecanoic acid
To Be Published
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7TML
 | | Porous framework formed by assembly of a bipyridyl-conjugated helical peptide | | Descriptor: | 5'-(hydrazinecarbonyl)[2,2'-bipyridine]-5-carboxamide, ACETONITRILE, ethyl 5'-formyl[2,2'-bipyridine]-5-carboxylate, ... | | Authors: | Nguyen, A.I. | | Deposit date: | 2022-01-19 | | Release date: | 2022-04-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Assembly of pi-Stacking Helical Peptides into a Porous and Multivariable Proteomimetic Framework.
J.Am.Chem.Soc., 144, 2022
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1OK0
 | | Crystal Structure of Tendamistat | | Descriptor: | ALPHA-AMYLASE INHIBITOR HOE-467A, CHLORIDE ION, GLYCEROL | | Authors: | Koenig, V, Vertesy, L, Schneider, T.R. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-15 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Crystal Structure of the Alpha-Amylase Inhibitor Tendamistat at 0.93 A
Acta Crystallogr.,Sect.D, 59, 2003
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6NIZ
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1VBW
 | | Crystal Structure of Bitter Gourd Trypsin Inhibitor | | Descriptor: | L(+)-TARTARIC ACID, POTASSIUM ION, SODIUM ION, ... | | Authors: | Suto, K, Furuichi, M, Nishimoto, E, Meno, K, Horii, K, Mizuno, H. | | Deposit date: | 2004-03-03 | | Release date: | 2005-03-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Crystal Structure of Bitter Gourd Trypsin Inhibitor
to be published
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7G1R
 | | Crystal Structure of human FABP4 in complex with 2-[(3-ethoxycarbonylthiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid | | Descriptor: | 2-{[3-(ethoxycarbonyl)thiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, FORMIC ACID, Fatty acid-binding protein, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Ceccarelli-Simona, M, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Crystal Structure of a human FABP4 complex
To be published
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5QU8
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2XTT
 | | Bovine trypsin in complex with evolutionary enhanced Schistocerca gregaria protease inhibitor 1 (SGPI-1-P02) | | Descriptor: | ACETATE ION, CALCIUM ION, CATIONIC TRYPSIN, ... | | Authors: | Wahlgren, W.Y, Pal, G, Kardos, J, Porrogi, P, Szenthe, B, Patthy, A, Graf, L, Katona, G. | | Deposit date: | 2010-10-12 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | The catalytic aspartate is protonated in the Michaelis complex formed between trypsin and an in vitro evolved substrate-like inhibitor: a refined mechanism of serine protease action.
J.Biol.Chem., 286, 2011
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6KM0
 | | Human Carbonic Anhydrase II V143I variant 07 atm CO2 | | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... | | Authors: | Kim, C.U, Kim, J.K. | | Deposit date: | 2019-07-30 | | Release date: | 2020-08-05 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Structural insights into the effect of active-site mutation on the catalytic mechanism of carbonic anhydrase.
Iucrj, 7, 2020
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1B0Y
 | | MUTANT H42Q OF HIPIP FROM CHROMATIUM VINOSUM AT 0.93A | | Descriptor: | IRON/SULFUR CLUSTER, PROTEIN (HIPIP) | | Authors: | Sheldrick, G.M. | | Deposit date: | 1998-11-15 | | Release date: | 1998-12-16 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (0.93 Å) | | Cite: | Ab initio solution and refinement of two high-potential iron protein structures at atomic resolution.
Acta Crystallogr.,Sect.D, 55, 1999
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