5E9N
 
 | | Steccherinum murashkinskyi laccase at 0.95 resolution | | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COPPER (II) ION, ... | | Authors: | Polyakov, K.M, Glazunova, O.A, Fedorova, T.V, Koroleva, O.V. | | Deposit date: | 2015-10-15 | | Release date: | 2015-12-23 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Structure-function study of two new middle-redox potential laccases from basidiomycetes Antrodiella faginea and Steccherinum murashkinskyi.
Int. J. Biol. Macromol., 118, 2018
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6SY3
 | | Cationic Trypsin in Complex with a D-DiPhe-Pro-pyridine derivative | | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic Trypsin, ... | | Authors: | Ngo, K, Heine, A, Klebe, G. | | Deposit date: | 2019-09-27 | | Release date: | 2020-05-13 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins?
J.Med.Chem., 63, 2020
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6Y0Y
 | | Sarcin Ricin Loop, mutant C2666U | | Descriptor: | MAGNESIUM ION, RNA (27-MER), SODIUM ION | | Authors: | Ennifar, E, Westhof, E. | | Deposit date: | 2020-02-10 | | Release date: | 2021-02-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Sarcin Ricin Loop, mutant C2666U
To Be Published
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6WEY
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2YL0
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2VU6
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3ODV
 | | X-ray structure of kaliotoxin by racemic protein crystallography | | Descriptor: | CITRIC ACID, Potassium channel toxin alpha-KTx 3.1, trifluoroacetic acid | | Authors: | Pentelute, B.L, Mandal, K, Gates, Z.P, Sawaya, M.R, Yeates, T.O, Kent, S.B.H. | | Deposit date: | 2010-08-11 | | Release date: | 2010-10-20 | | Last modified: | 2012-03-28 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Total chemical synthesis and X-ray structure of kaliotoxin by racemic protein crystallography.
Chem.Commun.(Camb.), 46, 2010
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6FO5
 | | FIRST DOMAIN OF HUMAN BROMODOMAIN BRD4 IN COMPLEX WITH INHIBITOR #17 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-[[4-[[7-ethyl-2,6-bis(oxidanylidene)purin-3-yl]methyl]phenyl]methyl]-2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepine-7-sulfonamide | | Authors: | Raux, B, Betzi, S. | | Deposit date: | 2018-02-06 | | Release date: | 2018-06-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Integrated Strategy for Lead Optimization Based on Fragment Growing: The Diversity-Oriented-Target-Focused-Synthesis Approach.
J. Med. Chem., 61, 2018
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7ASQ
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6TJ9
 | | Escherichia coli transketolase in complex with cofactor analog 2'-methoxythiamine and substrate xylulose 5-phosphate | | 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, 5-O-phosphono-D-xylulose, ... | | 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 (0.95 Å) | | Cite: | Structural basis for antibiotic action of the B 1 antivitamin 2'-methoxy-thiamine.
Nat.Chem.Biol., 16, 2020
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7FEU
 | | The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluorononanoic acid | | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | | Authors: | Sugiyama, S, Kakinouchi, K, Hara, T, Nakano, R, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2021-07-21 | | Release date: | 2022-07-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with perfluorononanoic acid
To Be Published
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7FDX
 | | X-ray structure of the human heart fatty acid-binding protein complexed with the fluorescent probe 8-Anilino-1-naphthalenesulfonic acid (ANS) | | Descriptor: | 8-ANILINO-1-NAPHTHALENE SULFONATE, Fatty acid-binding protein, heart | | Authors: | Sugiyama, S, Matsuoka, S, Tsuchikawa, H, Sonoyama, M, Inoue, Y, Hayashi, F, Murata, M. | | Deposit date: | 2021-07-18 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | X-ray structure of the human heart fatty acid-binding protein complexed with the fluorescent probe 8-Anilino-1-naphthalenesulfonic acid (ANS)
To Be Published
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6YZN
 | | Closo-carborane butyl-sulfonamide in complex with CA IX mimic | | Descriptor: | Carbonic anhydrase 2, Carborane closo-butyl-sulfonamide, ZINC ION | | Authors: | Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P. | | Deposit date: | 2020-05-07 | | Release date: | 2020-10-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | The structural basis for the selectivity of sulfonamido dicarbaboranes toward cancer-associated carbonic anhydrase IX.
J Enzyme Inhib Med Chem, 35, 2020
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1LUG
 | | Full Matrix Error Analysis of Carbonic Anhydrase | | Descriptor: | (4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER, Carbonic Anhydrase II, GLYCEROL, ... | | Authors: | Merritt, E.A, Le Trong, I, Behnke, C.A. | | Deposit date: | 2002-05-22 | | Release date: | 2003-09-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Atomic resolution studies of carbonic anhydrase II.
Acta Crystallogr.,Sect.D, 66, 2010
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4WKA
 | | Crystal structure of human chitotriosidase-1 catalytic domain at 0.95 A resolution | | Descriptor: | Chitotriosidase-1, L(+)-TARTARIC ACID | | Authors: | Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A. | | Deposit date: | 2014-10-02 | | Release date: | 2015-07-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM.
Acta Crystallogr.,Sect.D, 71, 2015
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5ZGW
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6TXP
 | | Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid) | | Descriptor: | (2-carbamoyl-5-fluorophenoxy)acetic acid, 3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid, Aldo-keto reductase family 1 member B1, ... | | Authors: | Hubert, L.-S, Ley, M, Heine, A, Klebe, G. | | Deposit date: | 2020-01-14 | | Release date: | 2021-01-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Human Aldose Reductase Mutant L300A in Complex with a Ligand with an IDD Structure (3-({[2-(carboxymethoxy)-4-fluorobenzoyl]amino}methyl)benzoic acid)
To Be Published
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6J64
 | | Crystal structure of human HINT1 mutant complexing with AP4A | | Descriptor: | 2-AMINOETHANESULFONIC ACID, BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Histidine triad nucleotide-binding protein 1 | | Authors: | Wang, J, Fang, P, Guo, M. | | Deposit date: | 2019-01-14 | | Release date: | 2019-09-25 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Second messenger Ap4A polymerizes target protein HINT1 to transduce signals in Fc epsilon RI-activated mast cells.
Nat Commun, 10, 2019
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6J93
 | | Crystal structure of Peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.95 A resolution | | Descriptor: | 1,2-ETHANEDIOL, Peptidyl-tRNA hydrolase | | Authors: | Viswanathan, V, Sharma, P, Singh, P.K, Iqbal, N, Sharma, S, Singh, T.P. | | Deposit date: | 2019-01-21 | | Release date: | 2019-02-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Crystal structure of Peptidyl-tRNA hydrolase form apo at 0.95 A resolution.
To Be Published
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8AUU
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8AQG
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5AXE
 | | Crystal Structure Analysis of DNA Duplexes containing sulfoamide-bridged nucleic acid (SuNA-NH) | | Descriptor: | DNA (5'-D(*GP*CP*GP*TP*AP*(LSH)P*AP*CP*GP*C)-3') | | Authors: | Mitsuoka, Y, Aoyama, H, Kugimiya, A, Fujimura, Y, Yamamoto, T, Waki, R, Wada, F, Tahara, S, Sawamura, M, Noda, M, Hari, Y, Obika, S. | | Deposit date: | 2015-07-28 | | Release date: | 2016-07-20 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Effect of an N-substituent in sulfonamide-bridged nucleic acid (SuNA) on hybridization ability and duplex structure.
Org.Biomol.Chem., 14, 2016
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8AE9
 | | Human Aldose Reductase in Complex with a Hydroxyphenyl-Thiophen-Acid Inhibitor (Schl32357) | | Descriptor: | 5-(5-(3-hydroxyphenyl)thiophen-2-yl)pentanoic acid, Aldose reductase, DIMETHYL SULFOXIDE, ... | | Authors: | Hubert, L.-S, Heine, A, Klebe, G, Reul, S. | | Deposit date: | 2022-07-12 | | Release date: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Human Aldose Reductase in Complex with a Hydroxyphenyl-Thiophen-Acid Inhibitor (Schl32357)
To Be Published
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1BRF
 | | Rubredoxin (Wild Type) from Pyrococcus Furiosus | | Descriptor: | FE (III) ION, PROTEIN (RUBREDOXIN) | | Authors: | Bau, R, Rees, D.C, Kurtz, D.M, Scott, R.A, Huang, H, Adams, M.W.W, Eidsness, M.K. | | Deposit date: | 1998-08-24 | | Release date: | 1998-09-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Crystal Structure of Rubredoxin from Pyrococcus Furiosus at 0.95 Angstroms Resolution, and the structures of N-terminal methionine and formylmethionine variants of Pf Rd. Contributions of N-terminal interactions to thermostability
J.BIOL.INORG.CHEM., 3, 1998
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1BXO
 | | ACID PROTEINASE (PENICILLOPEPSIN) (E.C.3.4.23.20) COMPLEX WITH PHOSPHONATE INHIBITOR: METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUT YL] HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL) PHENYLPROPANOATE | | Descriptor: | GLYCEROL, METHYL CYCLO[(2S)-2-[[(1R)-1-(N-(L-N-(3-METHYLBUTANOYL)VALYL-L-ASPARTYL)AMINO)-3-METHYLBUTYL]HYDROXYPHOSPHINYLOXY]-3-(3-AMINOMETHYL)PHENYLPROPANOATE, PROTEIN (PENICILLOPEPSIN), ... | | Authors: | Khan, A.R, Parrish, J.C, Fraser, M.E, Smith, W.W, Bartlett, P.A, James, M.N.G. | | Deposit date: | 1998-10-07 | | Release date: | 1998-10-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | Lowering the entropic barrier for binding conformationally flexible inhibitors to enzymes.
Biochemistry, 37, 1998
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