8HU5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8hu5 by Molmil](/molmil-images/mine/8hu5) | Crystal structure of DNA octamer containing GuNA[Me,tBu] | Descriptor: | DNA (5'-D(*GP*(LR6)P*GP*(BRU)P*AP*CP*AP*C)-3') | Authors: | Aoyama, H, Obika, H, Yamaguchi, T. | Deposit date: | 2022-12-22 | Release date: | 2023-08-09 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Mechanism of the extremely high duplex-forming ability of oligonucleotides modified with N-tert-butylguanidine- or N-tert-butyl-N'- methylguanidine-bridged nucleic acids. Nucleic Acids Res., 51, 2023
|
|
3FX5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3fx5 by Molmil](/molmil-images/mine/3fx5) | Structure of HIV-1 Protease in Complex with Potent Inhibitor KNI-272 Determined by High Resolution X-ray Crystallography | Descriptor: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, GLYCEROL, protease | Authors: | Adachi, M, Ohhara, T, Tamada, T, Okazaki, N, Kuroki, R. | Deposit date: | 2009-01-20 | Release date: | 2009-03-24 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Structure of HIV-1 protease in complex with potent inhibitor KNI-272 determined by high-resolution X-ray and neutron crystallography. Proc.Natl.Acad.Sci.USA, 2009
|
|
6SYW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6syw by Molmil](/molmil-images/mine/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
|
|
1GDQ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1gdq by Molmil](/molmil-images/mine/1gdq) | FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION | Descriptor: | GLY-ALA-ARG, GLYCEROL, SULFATE ION, ... | Authors: | Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S. | Deposit date: | 2000-09-28 | Release date: | 2001-02-07 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding. Acta Crystallogr.,Sect.D, 57, 2001
|
|
1VBW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1vbw by Molmil](/molmil-images/mine/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
|
|
1B0Y
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1b0y by Molmil](/molmil-images/mine/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
|
|
8A4N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8a4n by Molmil](/molmil-images/mine/8a4n) | |
7FG1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7fg1 by Molmil](/molmil-images/mine/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
|
|
5RDJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rdj by Molmil](/molmil-images/mine/5rdj) | PanDDA analysis group deposition -- Endothiapepsin ground state model 43 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
8X3H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 8x3h by Molmil](/molmil-images/mine/8x3h) | |
4TKH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4tkh by Molmil](/molmil-images/mine/4tkh) | The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with myristic acid | Descriptor: | Fatty acid-binding protein, heart, HEXAETHYLENE GLYCOL, ... | Authors: | Sugiyama, S, Matsuoka, S, Mizohata, E, Matsuoka, D, Ishida, H, Hirose, M, Kakinouchi, K, Hara, T, Murakami, S, Inoue, T, Murata, M. | Deposit date: | 2014-05-26 | Release date: | 2015-01-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Water-mediated recognition of simple alkyl chains by heart-type Fatty-Acid-binding protein Angew.Chem.Int.Ed.Engl., 54, 2015
|
|
3U7C
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3u7c by Molmil](/molmil-images/mine/3u7c) | crystal structure of the V143I mutant of human carbonic anhydrase II | Descriptor: | BICARBONATE ION, CARBON DIOXIDE, Carbonic anhydrase 2, ... | Authors: | West, D.M, Kim, C.U, Robbins, A.H, Mckenna, R. | Deposit date: | 2011-10-13 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | crystal structure of the V143I mutant of human carbonic anhydrase II To be Published
|
|
7TML
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7tml by Molmil](/molmil-images/mine/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
|
|
7G1R
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 7g1r by Molmil](/molmil-images/mine/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
|
|
2XTT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2xtt by Molmil](/molmil-images/mine/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
|
|
4R2X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4r2x by Molmil](/molmil-images/mine/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
|
|
6NIZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6niz by Molmil](/molmil-images/mine/6niz) | |
5RD3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5rd3 by Molmil](/molmil-images/mine/5rd3) | PanDDA analysis group deposition -- Endothiapepsin ground state model 25 | Descriptor: | ACETATE ION, DI(HYDROXYETHYL)ETHER, Endothiapepsin, ... | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | Deposit date: | 2020-03-24 | Release date: | 2020-06-03 | Last modified: | 2020-06-17 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening. Structure, 28, 2020
|
|
3QL9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 3ql9 by Molmil](/molmil-images/mine/3ql9) | |
1EA7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 1ea7 by Molmil](/molmil-images/mine/1ea7) | Sphericase | Descriptor: | CALCIUM ION, SERINE PROTEASE | Authors: | Almog, O, Gonzalez, A, Klein, D, Braun, S, Shoham, G. | Deposit date: | 2001-07-10 | Release date: | 2002-07-04 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | The 0.93A Crystal Structure of Sphericase: A Calcium-Loaded Serine Protease from Bacillus Sphaericus J.Mol.Biol., 332, 2003
|
|
4BVM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4bvm by Molmil](/molmil-images/mine/4bvm) | The peripheral membrane protein P2 from human myelin at atomic resolution | Descriptor: | CITRIC ACID, MYELIN P2 PROTEIN, PALMITIC ACID, ... | Authors: | Ruskamo, S, Yadav, R.P, Kursula, P. | Deposit date: | 2013-06-26 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.93 Å) | Cite: | Atomic Resolution View Into the Structure-Function Relationships of the Human Myelin Peripheral Membrane Protein P2 Acta Crystallogr.,Sect.D, 70, 2014
|
|
5XTV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5xtv by Molmil](/molmil-images/mine/5xtv) | Crystal Structure of Transketolase in complex with TPP intermediate V from Pichia Stipitis | Descriptor: | 2-[(5S)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Li, T.L, Hsu, N.S, Wang, Y.L. | Deposit date: | 2017-06-21 | Release date: | 2018-04-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.931 Å) | Cite: | The Mesomeric Effect of Thiazolium on non-Kekule Diradicals in Pichia stipitis Transketolase. Angew. Chem. Int. Ed. Engl., 57, 2018
|
|
5DK1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5dk1 by Molmil](/molmil-images/mine/5dk1) | |
5MNB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 5mnb by Molmil](/molmil-images/mine/5mnb) | Cationic trypsin in complex with 2-aminopyridine (deuterated sample at 295 K) | Descriptor: | 2-AMINOPYRIDINE, CALCIUM ION, Cationic trypsin, ... | Authors: | Schiebel, J, Heine, A, Klebe, G. | Deposit date: | 2016-12-13 | Release date: | 2017-05-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.939 Å) | Cite: | Charges Shift Protonation: Neutron Diffraction Reveals that Aniline and 2-Aminopyridine Become Protonated Upon Binding to Trypsin. Angew. Chem. Int. Ed. Engl., 56, 2017
|
|
6ROE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6roe by Molmil](/molmil-images/mine/6roe) | Human Carbonic Anhydrase II in complex with fluorinated benzenesulfonamide | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2,6-DIFLUOROBENZENESULFONAMIDE, Carbonic anhydrase 2, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-05-12 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (0.939 Å) | Cite: | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
|
|