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3RTT
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BU of 3rtt by Molmil
Human MMP-12 catalytic domain in complex with*(R)-N*-Hydroxy-1-(phenethylsulfonyl)pyrrolidine-2-carboxamide
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-1-[(2-phenylethyl)sulfonyl]-D-prolinamide, ...
Authors:Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mori, M, Nativi, C.
Deposit date:2011-05-04
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Contribution of ligand free energy of solvation to design new potent MMPs inhibitors.
J.Med.Chem., 2012
3RTS
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BU of 3rts by Molmil
Human MMP-12 catalytic domain in complex with*N*-Hydroxy-2-(2-phenylethylsulfonamido)acetamide
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-N~2~-[(2-phenylethyl)sulfonyl]glycinamide, ...
Authors:Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mori, M, Nativi, C.
Deposit date:2011-05-04
Release date:2012-07-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Contribution of ligand free energy of solvation to design new potent MMPs inhibitors.
J.Med.Chem., 2012
3H66
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BU of 3h66 by Molmil
Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Zn2+ atoms
Descriptor: Serine/threonine-protein phosphatase 5, ZINC ION
Authors:Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E.
Deposit date:2009-04-23
Release date:2009-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin
J.Med.Chem., 52, 2009
1BQX
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BU of 1bqx by Molmil
ARTIFICIAL FE8S8 FERREDOXIN: THE D13C VARIANT OF BACILLUS SCHLEGELII FE7S8 FERREDOXIN
Descriptor: IRON/SULFUR CLUSTER, PROTEIN (FERREDOXIN)
Authors:Aono, S, Bentrop, D, Bertini, I, Cosenza, G, Luchinat, C.
Deposit date:1998-08-20
Release date:1998-08-26
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of an artificial Fe8S8 ferredoxin: the D13C variant of Bacillus schlegelii Fe7S8 ferredoxin.
Eur.J.Biochem., 258, 1998
1BC6
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BU of 1bc6 by Molmil
7-FE FERREDOXIN FROM BACILLUS SCHLEGELII, NMR, 20 STRUCTURES
Descriptor: 7-FE FERREDOXIN, FE3-S4 CLUSTER, IRON/SULFUR CLUSTER
Authors:Aono, S, Bentrop, D, Bertini, I, Donaire, A, Luchinat, C, Niikura, Y, Rosato, A.
Deposit date:1998-05-05
Release date:1998-06-17
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution structure of the oxidized Fe7S8 ferredoxin from the thermophilic bacterium Bacillus schlegelii by 1H NMR spectroscopy.
Biochemistry, 37, 1998
2KTM
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BU of 2ktm by Molmil
Solution NMR structure of H2H3 domain of ovine prion protein (residues 167-234)
Descriptor: Major prion protein
Authors:Pastore, A, Adrover, M, Pauwels, K, de Chiara, C, Prigent, S, Rezeai, H.
Deposit date:2010-02-04
Release date:2010-04-07
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Prion fibrillization is mediated by a native structural element that comprises helices H2 and H3.
J.Biol.Chem., 285, 2010
6GE9
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BU of 6ge9 by Molmil
Structure of Mycobacterium tuberculosis GlmU bound to Glc-1P and Ac-CoA
Descriptor: 1,2-ETHANEDIOL, 1-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, ...
Authors:Craggs, P.D, Mouilleron, S, Rejzek, M, de Chiara, C, Young, R.J, Field, R.A, Argyrou, A, de Carvalho, L.P.S.
Deposit date:2018-04-25
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:The Mechanism of Acetyl Transfer Catalyzed by Mycobacterium tuberculosis GlmU.
Biochemistry, 57, 2018
3BA0
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BU of 3ba0 by Molmil
Crystal structure of full-length human MMP-12
Descriptor: ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Bertini, I, Calderone, V, Fragai, M, Jaiswal, R, Luchinat, C, Melikian, M, Myonas, E, Svergun, D.I.
Deposit date:2007-11-07
Release date:2008-07-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:Evidence of reciprocal reorientation of the catalytic and hemopexin-like domains of full-length MMP-12.
J.Am.Chem.Soc., 130, 2008
1OA2
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BU of 1oa2 by Molmil
Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDO-BETA-1,4-GLUCANASE
Authors:Sandgren, M, Gualfetti, P.J, Shaw, A, Gross, L.S, Saldajeno, M, Day, A.G, Jones, T.A, Mitchinson, C.
Deposit date:2002-12-28
Release date:2003-03-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability
Protein Sci., 12, 2003
2VTC
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BU of 2vtc by Molmil
The structure of a glycoside hydrolase family 61 member, Cel61B from the Hypocrea jecorina.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CEL61B, NICKEL (II) ION
Authors:Karkehabadi, S, Hansson, H, Kim, S, Piens, K, Mitchinson, C, Sandgren, M.
Deposit date:2008-05-14
Release date:2008-09-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:The First Structure of a Glycoside Hydrolase Family 61 Member, Cel61B from the Hypocrea Jecorina, at 1.6 A Resolution.
J.Mol.Biol., 383, 2008
6EOK
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BU of 6eok by Molmil
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
1OA4
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BU of 1oa4 by Molmil
Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability
Descriptor: ENDO-BETA-1,4-GLUCANASE
Authors:Sandgren, M, Gualfetti, P.J, Shaw, A, Gross, L.S, Saldajeno, M, Day, A.G, Jones, T.A, Mitchinson, C.
Deposit date:2002-12-28
Release date:2003-03-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability
Protein Sci., 12, 2003
1OS2
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BU of 1os2 by Molmil
Ternary enzyme-product-inhibitor complexes of human MMP12
Descriptor: ACETATE ION, ACETOHYDROXAMIC ACID, AZIDE ION, ...
Authors:Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B.
Deposit date:2003-03-18
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases
Angew.Chem.Int.Ed.Engl., 42, 2003
1OT4
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BU of 1ot4 by Molmil
Solution structure of Cu(II)-CopC from Pseudomonas syringae
Descriptor: COPPER (II) ION, Copper resistance protein C
Authors:Arnesano, F, Banci, L, Bertini, I, Felli, I.C, Luchinat, C, Thompsett, A.R, Structural Proteomics in Europe (SPINE)
Deposit date:2003-03-21
Release date:2003-07-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A Strategy for the NMR Characterization of Type II Copper(II) Proteins: the Case of the Copper Trafficking Protein CopC from Pseudomonas Syringae.
J.Am.Chem.Soc., 125, 2003
6H6S
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BU of 6h6s by Molmil
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
1OA3
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BU of 1oa3 by Molmil
Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDO-BETA-1-4-GLUCANASE
Authors:Sandgren, M, Gualfetti, P.J, Shaw, A, Gross, L.S, Saldajeno, M, Day, A.G, Jones, T.A, Mitchinson, C.
Deposit date:2002-12-28
Release date:2003-03-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability
Protein Sci., 12, 2003
2M41
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BU of 2m41 by Molmil
Solution Structure of the AXH domain of Ataxin-1 in complex with ligand peptide from Capicua
Descriptor: Ataxin-1, Protein capicua homolog
Authors:de Chiara, C, Kelly, G, Pastore, A.
Deposit date:2013-01-28
Release date:2013-12-11
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Protein-Protein Interactions as a Strategy towards Protein-Specific Drug Design: The Example of Ataxin-1.
Plos One, 8, 2013
1Y93
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BU of 1y93 by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with acetohydroxamic acid at atomic resolution
Descriptor: ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Bertini, I, Calderone, V, Cosenza, M, Fragai, M, Lee, Y.-M, Luchinat, C, Mangani, S, Terni, B, Turano, P.
Deposit date:2004-12-14
Release date:2005-04-26
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Conformational variability of matrix metalloproteinases: Beyond a single 3D structure
Proc.Natl.Acad.Sci.Usa, 102, 2005
1OS9
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BU of 1os9 by Molmil
Binary enzyme-product complexes of human MMP12
Descriptor: CALCIUM ION, Macrophage metalloelastase, ZINC ION
Authors:Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B.
Deposit date:2003-03-19
Release date:2003-08-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases
Angew.Chem.Int.Ed.Engl., 42, 2003
2OXZ
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BU of 2oxz by Molmil
Human MMP-12 in complex with two peptides PQG and IAG
Descriptor: CALCIUM ION, ILE-ALA-GLY peptide, Macrophage metalloelastase, ...
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 (1.9 Å)
Cite:Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
1FMY
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BU of 1fmy by Molmil
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
2OXW
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BU of 2oxw by Molmil
Human MMP-12 complexed with the peptide IAG
Descriptor: CALCIUM ION, ILE-ALA-GLY peptide, Macrophage metalloelastase, ...
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 (1.15 Å)
Cite:Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
2OXU
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BU of 2oxu by Molmil
Uninhibited form of human MMP-12
Descriptor: CALCIUM ION, Macrophage metalloelastase, 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 (1.24 Å)
Cite:Snapshots of the reaction mechanism of matrix metalloproteinases.
ANGEW.CHEM.INT.ED.ENGL., 45, 2006
2KVJ
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BU of 2kvj by Molmil
NMR and MD solution structure of a Gamma-Methylated PNA duplex
Descriptor: Gamma-Modified Peptide Nucleic Acid
Authors:He, W, Crawford, M.J, Rapireddy, S, Madrid, M, Gil, R.R, Ly, D.H, Achim, C.
Deposit date:2010-03-15
Release date:2010-05-12
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:The structure of a gamma-modified peptide nucleic acid duplex.
Mol Biosyst, 6, 2010
1RMZ
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BU of 1rmz by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor NNGH at 1.3 A resolution
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID, ...
Authors:Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Mangani, S, Terni, B.
Deposit date:2003-11-28
Release date:2004-12-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Conformational variability of matrix metalloproteinases: beyond a single 3D structure.
Proc.Natl.Acad.Sci.Usa, 102, 2005

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