3O5N
 
 | | Tetrahydroquinoline carboxylates are potent inhibitors of the Shank PDZ domain, a putative target in autism disorders | | Descriptor: | (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid, SH3 and multiple ankyrin repeat domains protein 3 | | Authors: | Saupe, J, Roske, Y, Schillinger, C, Kamdem, N, Radetzki, S, Diehl, A, Oschkinat, H, Krause, G, Heinemann, U, Rademann, J. | | Deposit date: | 2010-07-28 | | Release date: | 2011-06-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Discovery, structure-activity relationship studies, and crystal structure of nonpeptide inhibitors bound to the shank3 PDZ domain.
Chemmedchem, 6, 2011
|
|
2OY2
 | | Human MMP-8 in complex with peptide IAG | | Descriptor: | CALCIUM ION, ILE-ALA-GLY peptide, Neutrophil collagenase, ... | | Authors: | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | | Deposit date: | 2007-02-21 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
|
|
1FMY
 | | HIGH RESOLUTION SOLUTION STRUCTURE OF THE PROTEIN PART OF CU7 METALLOTHIONEIN | | Descriptor: | METALLOTHIONEIN | | Authors: | Bertini, I, Hartmann, H.J, Klein, T, Liu, G, Luchinat, C, Weser, U. | | Deposit date: | 2000-08-18 | | Release date: | 2000-09-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | High resolution solution structure of the protein part of Cu7 metallothionein.
Eur.J.Biochem., 267, 2000
|
|
2OY4
 | | Uninhibited human MMP-8 | | Descriptor: | CALCIUM ION, Neutrophil collagenase, ZINC ION | | Authors: | Calderone, V, Bertini, I, Fragai, M, Luchinat, C, Maletta, M, Yeo, K.J. | | Deposit date: | 2007-02-21 | | Release date: | 2007-03-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
|
|
6H6S
 | | Sad phasing on nickel-substituted human carbonic anhydrase II | | Descriptor: | Carbonic anhydrase 2, NICKEL (II) ION | | Authors: | Calderone, V, Fragai, M, Silva, J.P, Luchinat, C, Ravera, E, Geraldes, C.F.G.C, Macedo, A.L, Cerofolini, L, Giuntini, S. | | Deposit date: | 2018-07-30 | | Release date: | 2019-01-09 | | Last modified: | 2024-05-15 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Non-crystallographic symmetry in proteins: Jahn-Teller-like and Butterfly-like effects?
J. Biol. Inorg. Chem., 24, 2019
|
|
6EOK
 | | Crystal structure of E. coli L-asparaginase II | | Descriptor: | L-asparaginase 2, ZINC ION | | Authors: | Cerofolini, L, Giuntini, S, Carlon, A, Ravera, E, Calderone, V, Fragai, M, Parigi, G, Luchinat, C. | | Deposit date: | 2017-10-09 | | Release date: | 2018-10-31 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Characterization of PEGylated Asparaginase: New Opportunities from NMR Analysis of Large PEGylated Therapeutics.
Chemistry, 25, 2019
|
|
3PVG
 | | Crystal structure of Z. mays CK2 alpha subunit in complex with the inhibitor 4,5,6,7-tetrabromo-1-carboxymethylbenzimidazole (K68) | | Descriptor: | (4,5,6,7-tetrabromo-1H-benzimidazol-1-yl)acetic acid, Casein kinase II subunit alpha | | Authors: | Papinutto, E, Franchin, C, Battistutta, R. | | Deposit date: | 2010-12-07 | | Release date: | 2010-12-15 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | ATP site-directed inhibitors of protein kinase CK2: an update.
Curr Top Med Chem, 11, 2011
|
|
6LLF
 | | Biphenyl-2,2',3-triol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase | | Descriptor: | 1,2-ETHANEDIOL, 3-(2-hydroxyphenyl)benzene-1,2-diol, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | | Deposit date: | 2019-12-23 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Biphenyl-2,2',3-triol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase
To Be Published
|
|
6M0R
 | | 2.7A Yeast Vo state3 | | Descriptor: | (6~{E},10~{E},14~{E},18~{E},22~{E},26~{E},30~{R})-2,6,10,14,18,22,26,30-octamethyldotriaconta-2,6,10,14,18,22,26-heptaene, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, PYROPHOSPHATE, ... | | Authors: | Roh, S.H, Shekhar, M, Pintilie, G, Chipot, C, Wilkens, S, Singharoy, A, Chiu, W. | | Deposit date: | 2020-02-22 | | Release date: | 2020-11-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Cryo-EM and MD infer water-mediated proton transport and autoinhibition mechanisms of V o complex.
Sci Adv, 6, 2020
|
|
6LL4
 | | Oxygen-exposed carbazole-soaked reduced terminal oxygenase of carbazole 1,9a-dioxygenase | | Descriptor: | (9aR)-9a-(dioxidanyl)-1,9-dihydrocarbazole, 1,2-ETHANEDIOL, 2'-amino[1,1'-biphenyl]-2,3-diol, ... | | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | | Deposit date: | 2019-12-21 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Oxygen-exposed carbazole-soaked reduced terminal oxygenase of carbazole 1,9a-dioxygenase with
To Be Published
|
|
6LLM
 | | Biphenyl-2,3-diol-soaked terminal oxygenase of carbazole 1,9a-dioxygenase | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BIPHENYL-2,3-DIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | | Deposit date: | 2019-12-23 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Biphenyl-2,3-diol-soaked terminal oxygenase of carbazole 1,9a-dioxygenase
To Be Published
|
|
6M0S
 | | 3.6A Yeast Vo state3 prime | | Descriptor: | Uncharacterized protein YPR170W-B, V-type proton ATPase subunit a, vacuolar isoform, ... | | Authors: | Roh, S.H, Shekhar, M, Pintilie, G, Chipot, C, Wilkens, S, SIngharoy, A, Chiu, W. | | Deposit date: | 2020-02-22 | | Release date: | 2020-11-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Cryo-EM and MD infer water-mediated proton transport and autoinhibition mechanisms of V o complex.
Sci Adv, 6, 2020
|
|
6LL1
 | | Oxygen-exposed reduced terminal oxygenase in carbazole 1,9a-dioxygenase | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... | | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | | Deposit date: | 2019-12-21 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Oxygen-exposed reduced terminal oxygenase in carbazole 1,9a-dioxygenase
To Be Published
|
|
6LLH
 | | Biphenyl-2,3-diol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, BIPHENYL-2,3-DIOL, ... | | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | | Deposit date: | 2019-12-23 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Biphenyl-2,2',3-triol-soaked resting complex of Oxy and Fd in carbazole 1,9a-dioxygenase
To Be Published
|
|
4P18
 | | Crystal Structure of frog M ferritin mutant D80K | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Pozzi, C, Di Pisa, F, Mangani, S, Bernacchioni, C, Ghini, V, Turano, P. | | Deposit date: | 2014-02-25 | | Release date: | 2014-10-01 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Loop electrostatics modulates the intersubunit interactions in ferritin.
Acs Chem.Biol., 9, 2014
|
|
6LLK
 | | Biphenyl-2,2',3-triol-soaked terminal oxygenase of carbazole 1,9a-dioxygenase | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-(2-hydroxyphenyl)benzene-1,2-diol, DIMETHYL SULFOXIDE, ... | | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | | Deposit date: | 2019-12-23 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Biphenyl-2,2',3-triol-soaked terminal oxygenase of carbazole 1,9a-dioxygenase
To Be Published
|
|
6LL0
 | | Carbazole-soaked reduced oxygenase in carbazole 1,9a-dioxygenase | | Descriptor: | 1,2-ETHANEDIOL, 9H-CARBAZOLE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wang, Y.X, Suzuki-Minakuchi, C, Nojiri, H. | | Deposit date: | 2019-12-21 | | Release date: | 2021-01-27 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Carbazole-soaked reduced oxygenase in carbazole 1,9a-dioxygenase
To Be Published
|
|
1HRQ
 | | THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE REDUCED HIGH-POTENTIAL IRON-SULFUR PROTEIN FROM CHROMATIUM VINOSUM THROUGH NMR | | Descriptor: | HIGH POTENTIAL IRON SULFUR PROTEIN, IRON/SULFUR CLUSTER | | Authors: | Banci, L, Bertini, I, Dikiy, A, Kastrau, D.H.W, Luchinat, C, Sompornpisut, P. | | Deposit date: | 1995-01-17 | | Release date: | 1995-06-03 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The three-dimensional solution structure of the reduced high-potential iron-sulfur protein from Chromatium vinosum through NMR.
Biochemistry, 34, 1995
|
|
1HRR
 | | THE THREE DIMENSIONAL STRUCTURE OF THE REDUCED HIGH POTENTIAL IRON-SULFUR PROTEIN FROM CHROMATIUM VINOSUM THROUGH NMR | | Descriptor: | IRON/SULFUR CLUSTER, REDUCED HIGH POTENTIAL IRON SULFUR PROTEIN | | Authors: | Banci, L, Bertini, I, Dikiy, A, Kastrau, D.H.W, Luchinat, C, Sompornpisut, P. | | Deposit date: | 1995-01-17 | | Release date: | 1995-07-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The three-dimensional solution structure of the reduced high-potential iron-sulfur protein from Chromatium vinosum through NMR.
Biochemistry, 34, 1995
|
|
1GX7
 | | Best model of the electron transfer complex between cytochrome c3 and [Fe]-hydrogenase | | Descriptor: | 1,3-PROPANEDITHIOL, CARBON MONOXIDE, CYANIDE ION, ... | | Authors: | Elantak, L, Morelli, X, Bornet, O, Hatchikian, C, Czjzek, M, Dolla, A, Guerlesquin, F. | | Deposit date: | 2002-03-28 | | Release date: | 2003-07-31 | | Last modified: | 2019-11-27 | | Method: | SOLUTION NMR, THEORETICAL MODEL | | Cite: | The Cytochrome C(3)-[Fe]-Hydrogenase Electron-Transfer Complex: Structural Model by NMR Restrained Docking
FEBS Lett., 548, 2003
|
|
1W2U
 | | X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH A SOAKED THIO CELLOTETRAOSE | | Descriptor: | ENDOGLUCANASE, SULFATE ION, TETRAETHYLENE GLYCOL, ... | | Authors: | Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M. | | Deposit date: | 2004-07-08 | | Release date: | 2004-09-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A
J.Mol.Biol., 342, 2004
|
|
1H5O
 | | Solution structure of Crotamine, a neurotoxin from Crotalus durissus terrificus | | Descriptor: | MYOTOXIN | | Authors: | Nicastro, G, Franzoni, L, De Chiara, C, Mancin, C.A, Giglio, J.R, Spisni, A. | | Deposit date: | 2001-05-23 | | Release date: | 2003-05-09 | | Last modified: | 2013-07-24 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Crotamine, a Na+ Channel Affecting Toxin from Crotalus Durissus Terrificus Venom
Eur.J.Biochem., 270, 2003
|
|
1H8V
 | | The X-ray Crystal Structure of the Trichoderma reesei Family 12 Endoglucanase 3, Cel12A, at 1.9 A Resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDO-BETA-1,4-GLUCANASE | | Authors: | Sandgren, M, Shaw, A, Ropp, T.H, Wu, S, Bott, R, Cameron, A.D, Stahlberg, J, Mitchinson, C, Jones, T.A. | | Deposit date: | 2001-02-16 | | Release date: | 2001-04-24 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The X-Ray Crystal Structure of the Trichoderma Reesei Family 12 Endoglucanase 3, Cel12A, at 1.9 A Resolution
J.Mol.Biol., 308, 2001
|
|
1HNR
 | | H-NS (DNA-BINDING DOMAIN) | | Descriptor: | H-NS | | Authors: | Shindo, H, Iwaki, T, Ieda, R, Kurumizaka, H, Ueguchi, C, Mizuno, T, Morikawa, S, Nakamura, H, Kuboniwa, H. | | Deposit date: | 1995-04-06 | | Release date: | 1995-07-10 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the DNA binding domain of a nucleoid-associated protein, H-NS, from Escherichia coli.
FEBS Lett., 360, 1995
|
|
1UU4
 | | X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH CELLOBIOSE | | Descriptor: | ENDO-BETA-1,4-GLUCANASE, TETRAETHYLENE GLYCOL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M. | | Deposit date: | 2003-12-15 | | Release date: | 2004-09-16 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A
J.Mol.Biol., 342, 2004
|
|
