1D5E
 
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1D5H
 | | Rnase s(f8a). mutant ribonucleasE S. | | Descriptor: | RNASE S, S PEPTIDE, SULFATE ION | | Authors: | Ratnaparkhi, G.S, Varadarajan, R. | | Deposit date: | 1999-10-07 | | Release date: | 1999-10-20 | | Last modified: | 2018-03-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Thermodynamic and structural studies of cavity formation in proteins suggest that loss of packing interactions rather than the hydrophobic effect dominates the observed energetics.
Biochemistry, 39, 2000
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4C8M
 | | Binary complex of the large fragment of DNA polymerase I from Thermus Aquaticus with the aritificial base pair d5SICS-dNaM at the postinsertion site (sequence context 2) | | Descriptor: | GLYCEROL, LARGE FRAGMENT OF TAQ DNA POLYMERASE I, MAGNESIUM ION, ... | | Authors: | Betz, K, Malyshev, D.A, Lavergne, T, Welte, W, Diederichs, K, Romesberg, F.E, Marx, A. | | Deposit date: | 2013-10-01 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.568 Å) | | Cite: | Structural Insights Into DNA Replication without Hydrogen Bonds.
J.Am.Chem.Soc., 135, 2013
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4CD7
 | | The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManIFG and beta-1,4-mannobiose | | Descriptor: | 5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINE, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose, ... | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
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4CD8
 | | The structure of GH113 beta-mannanase AaManA from Alicyclobacillus acidocaldarius in complex with ManMIm | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-BETA-1,4-MANNANASE, beta-D-mannopyranose | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
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2N3O
 | | Structure of PTB RRM1(41-163) bound to an RNA stemloop containing a structured loop derived from viral internal ribosomal entry site RNA | | Descriptor: | Polypyrimidine tract-binding protein 1, RNA (5'-R(*GP*GP*GP*AP*CP*CP*UP*GP*GP*UP*CP*UP*UP*UP*CP*CP*AP*GP*GP*UP*CP*CP*C)-3') | | Authors: | Maris, C, Jayne, S.F, Damberger, F.F, Ravindranathan, S, Allain, F.H.-T. | | Deposit date: | 2015-06-08 | | Release date: | 2016-08-10 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | C-terminal helix folding upon pyrimidine-rich hairpin binding to PTB RRM1. Implications for PTB function in Encephalomyocarditis virus IRES activity.
To be Published
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4C8N
 | | Binary complex of the large fragment of DNA polymerase I from Thermus Aquaticus with the aritificial base pair dNaM-d5SICS at the postinsertion site (sequence context 3) | | Descriptor: | LARGE FRAGMENT OF TAQ DNA POLYMERASE I, PRIMER, 5'-D(*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*LHOP)-3', ... | | Authors: | Betz, K, Malyshev, D.A, Lavergne, T, Welte, W, Diederichs, K, Romesberg, F.E, Marx, A. | | Deposit date: | 2013-10-01 | | Release date: | 2013-12-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural Insights Into DNA Replication without Hydrogen Bonds.
J.Am.Chem.Soc., 135, 2013
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7B4V
 | | Broadly neutralizing DARPin bnD.2 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | | Descriptor: | Broadly neutralizing DARPin bnD.2, CHLORIDE ION, HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505), ... | | Authors: | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | | Deposit date: | 2020-12-02 | | Release date: | 2021-11-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
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4CD5
 | | The structure of GH26 beta-mannanase CjMan26C from Cellvibrio japonicus in complex with ManMIm | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ENDO-1,4-BETA MANNANASE, PUTATIVE, ... | | Authors: | Williams, R.J, Iglesias-Fernandez, J, Stepper, J, Jackson, A, Thompson, A.J, Lowe, E.C, White, J.M, Gilbert, H.J, Rovira, C, Davies, G.J, Williams, S.J. | | Deposit date: | 2013-10-30 | | Release date: | 2014-04-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Combined Inhibitor Free-Energy Landscape and Structural Analysis Reports on the Mannosidase Conformational Coordinate.
Angew.Chem.Int.Ed.Engl., 53, 2014
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7B4W
 | | Broadly neutralizing DARPin bnD.3 in complex with the HIV-1 envelope variable loop 3 crown mimetic peptide V3-IF (BG505) | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Broadly neutralizing DARPin bnD.3, ... | | Authors: | Friedrich, N, Stiegeler, E, Glogl, M, Lemmin, T, Hansen, S, Kadelka, C, Wu, Y, Ernst, P, Maliqi, L, Foulkes, C, Morin, M, Eroglu, M, Liechti, T, Ivan, B, Reinberg, T, Schaefer, J, Karakus, U, Ursprung, S, Mann, A, Rusert, P, Kouyos, R.D, Robinson, J.A, Gunthard, H.F, Pluckthun, A, Trkola, A. | | Deposit date: | 2020-12-02 | | Release date: | 2021-11-24 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
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7AZG
 | | DNA polymerase sliding clamp from Escherichia coli with peptide 4 bound | | Descriptor: | Beta sliding clamp, Peptide 4 | | Authors: | Monsarrat, C, Compain, G, Andre, C, Martiel, I, Engilberge, S, Olieric, V, Wolff, P, Brillet, K, Landolfo, M, Silva da Veiga, C, Wagner, J, Guichard, G, Burnouf, D.Y. | | Deposit date: | 2020-11-16 | | Release date: | 2021-12-01 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.92 Å) | | Cite: | Iterative Structure-Based Optimization of Short Peptides Targeting the Bacterial Sliding Clamp.
J.Med.Chem., 64, 2021
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4C9Y
 | | Structural Basis for the microtubule binding of the human kinetochore Ska complex | | Descriptor: | SPINDLE AND KINETOCHORE-ASSOCIATED PROTEIN 1 | | Authors: | Abad, M, Medina, B, Santamaria, A, Zou, J, Plasberg-Hill, C, Madhumalar, A, Jayachandran, U, Redli, P.M, Rappsilber, J, Nigg, E.A, Jeyaprakash, A.A. | | Deposit date: | 2013-10-04 | | Release date: | 2014-01-22 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Structural Basis for Microtubule Recognition by the Human Kinetochore Ska Complex.
Nat.Commun., 5, 2014
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6O8A
 | | Thaumatin native-SAD structure determined at 5 keV from microcrystals | | Descriptor: | L(+)-TARTARIC ACID, Thaumatin-1 | | Authors: | Guo, G, Zhu, P, Fuchs, M.R, Shi, W, Andi, B, Gao, Y, Hendrickson, W.A, McSweeney, S, Liu, Q. | | Deposit date: | 2019-03-09 | | Release date: | 2019-05-08 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Synchrotron microcrystal native-SAD phasing at a low energy.
Iucrj, 6, 2019
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1CE5
 | | BOVINE PANCREAS BETA-TRYPSIN IN COMPLEX WITH BENZAMIDINE | | Descriptor: | BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Ota, N, Stroupe, C, Ferreira-Da-Silva, J.M.S, Shah, S.S, Mares-Guia, M, Brunger, A.T. | | Deposit date: | 1999-03-16 | | Release date: | 1999-03-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Non-Boltzmann thermodynamic integration (NBTI) for macromolecular systems: relative free energy of binding of trypsin to benzamidine and benzylamine.
Proteins, 37, 1999
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2ZL1
 | | MP1-p14 Scaffolding complex | | Descriptor: | Mitogen-activated protein kinase kinase 1-interacting protein 1, Mitogen-activated protein-binding protein-interacting protein | | Authors: | Schrag, J.D, Cygler, M, Munger, C, Magloire, A. | | Deposit date: | 2008-04-02 | | Release date: | 2008-06-24 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular dynamics-solvated interaction energy studies of protein-protein interactions: the MP1-p14 scaffolding complex.
J.Mol.Biol., 379, 2008
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1BSP
 | | THERMOSTABLE THYMIDYLATE SYNTHASE A FROM BACILLUS SUBTILIS | | Descriptor: | PHOSPHATE ION, THYMIDYLATE SYNTHASE A | | Authors: | Stout, T.J, Schellenberger, U, Santi, D.V, Stroud, R.M. | | Deposit date: | 1998-07-09 | | Release date: | 1999-02-16 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structures of a unique thermal-stable thymidylate synthase from Bacillus subtilis.
Biochemistry, 37, 1998
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1C9C
 | | ASPARTATE AMINOTRANSFERASE COMPLEXED WITH C3-PYRIDOXAL-5'-PHOSPHATE | | Descriptor: | ALANYL-PYRIDOXAL-5'-PHOSPHATE, ASPARTATE AMINOTRANSFERASE | | Authors: | Ishijima, J, Nakai, T, Kawaguchi, S, Hirotsu, K, Kuramitsu, S. | | Deposit date: | 1999-08-02 | | Release date: | 2000-12-20 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Free energy requirement for domain movement of an enzyme
J.Biol.Chem., 275, 2000
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1SKK
 | | Structure of the antimicrobial hexapeptide cyc-(KKWWKF) bound to DPC micelles | | Descriptor: | cyclic hexapeptide KKWWKF | | Authors: | Appelt, C, Soderhall, J.A, Bienert, M, Dathe, M, Schmieder, P. | | Deposit date: | 2004-03-05 | | Release date: | 2005-03-15 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structure of the antimicrobial, cationic hexapeptide cyclo(RRWWRF) and its analogues in solution and bound to detergent micelles.
Chembiochem, 6, 2005
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5HV9
 | | Human LTC4S mutant-S36E | | Descriptor: | GLUTATHIONE, Leukotriene C4 synthase, SULFATE ION | | Authors: | Thulasingam, M, Ahmad, H.R.S, Rinaldo-Matthis, A, Haeggstrom, J.Z. | | Deposit date: | 2016-01-28 | | Release date: | 2016-07-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Phosphorylation of Leukotriene C4 Synthase at Serine 36 Impairs Catalytic Activity.
J.Biol.Chem., 291, 2016
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1SKI
 | | Structure of the antimicrobial hexapeptide cyc-(RRYYRF) bound to DPC micelles | | Descriptor: | cyclic hexapeptide RRYYRF | | Authors: | Appelt, C, Soderhall, J.A, Bienert, M, Dathe, M, Schmieder, P. | | Deposit date: | 2004-03-05 | | Release date: | 2005-03-15 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Structure of the antimicrobial, cationic hexapeptide cyclo(RRWWRF) and its analogues in solution and bound to detergent micelles.
Chembiochem, 6, 2005
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4BCT
 | | Crystal structure of kiwi-fruit allergen Act d 2 | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, THAUMATIN-LIKE PROTEIN | | Authors: | Pavkov-Keller, T, Bublin, M, Jankovic, M, Breiteneder, H, Keller, W. | | Deposit date: | 2012-10-03 | | Release date: | 2013-10-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (0.98 Å) | | Cite: | Crystal Structure of Kiwi-Fruit Allergen Act D 2
To be Published
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5I2V
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1IIB
 | | CRYSTAL STRUCTURE OF IIBCELLOBIOSE FROM ESCHERICHIA COLI | | Descriptor: | ENZYME IIB OF THE CELLOBIOSE-SPECIFIC PHOSPHOTRANSFERASE SYSTEM | | Authors: | Van Montfort, R.L.M, Pijning, T, Kalk, K.H, Reizer, J, Saier, M.H, Thunnissen, M.M.G.M, Robillard, G.T, Dijkstra, B.W. | | Deposit date: | 1996-12-23 | | Release date: | 1997-12-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The structure of an energy-coupling protein from bacteria, IIBcellobiose, reveals similarity to eukaryotic protein tyrosine phosphatases.
Structure, 5, 1997
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8HFQ
 | | Cryo-EM structure of CpcL-PBS from cyanobacterium Synechocystis sp. PCC 6803 | | Descriptor: | C-phycocyanin alpha subunit, C-phycocyanin beta subunit, Ferredoxin--NADP reductase, ... | | Authors: | Zheng, L, Zhang, Z, Wang, H, Zheng, Z, Gao, N, Zhao, J. | | Deposit date: | 2022-11-11 | | Release date: | 2023-11-08 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Cryo-EM and femtosecond spectroscopic studies provide mechanistic insight into the energy transfer in CpcL-phycobilisomes.
Nat Commun, 14, 2023
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6QKJ
 | | EgtB from Chloracidobacterium thermophilum, a type II sulfoxide synthase in complex with N,N,N-trimethyl-histidine | | Descriptor: | CHLORIDE ION, FE (III) ION, IMIDAZOLE, ... | | Authors: | Stampfli, A.R, Badri, B.N, Schirmer, T, Seebeck, F.P. | | Deposit date: | 2019-01-29 | | Release date: | 2019-03-27 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | An Alternative Active Site Architecture for O2Activation in the Ergothioneine Biosynthetic EgtB from Chloracidobacterium thermophilum.
J.Am.Chem.Soc., 141, 2019
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