1K3H
 
 | | NMR Solution Structure of Oxidized Cytochrome c-553 from Bacillus pasteurii | | Descriptor: | HEME C, cytochrome c-553 | | Authors: | Banci, L, Bertini, I, Ciurli, S, Dikiy, A, Dittmer, J, Rosato, A, Sciara, G, Thompsett, A.R. | | Deposit date: | 2001-10-03 | | Release date: | 2001-10-31 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure, backbone mobility, and homology modeling of c-type cytochromes from gram-positive bacteria.
Chembiochem, 3, 2002
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1K3G
 | | NMR Solution Structure of Oxidized Cytochrome c-553 from Bacillus pasteurii | | Descriptor: | HEME C, cytochrome c-553 | | Authors: | Banci, L, Bertini, I, Ciurli, S, Dikiy, A, Dittmer, J, Rosato, A, Sciara, G, Thompsett, A.R. | | Deposit date: | 2001-10-03 | | Release date: | 2001-10-31 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | NMR solution structure, backbone mobility, and homology modeling of c-type cytochromes from gram-positive bacteria.
Chembiochem, 3, 2002
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2KMX
 | | Solution structure of the nucleotide binding domain of the human Menkes protein in the ATP-bound form | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, Inagaki, S, Migliardi, M, Rosato, A. | | Deposit date: | 2009-08-05 | | Release date: | 2009-12-01 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | The binding mode of ATP revealed by the solution structure of the N-domain of human ATP7A.
J.Biol.Chem., 2009
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2KMV
 | | Solution structure of the nucleotide binding domain of the human Menkes protein in the ATP-free form | | Descriptor: | Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, Inagaki, S, Migliardi, M, Rosato, A. | | Deposit date: | 2009-08-05 | | Release date: | 2009-12-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | The binding mode of ATP revealed by the solution structure of the N-domain of human ATP7A.
J.Biol.Chem., 2009
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2KIJ
 | | Solution structure of the Actuator domain of the copper-transporting ATPase ATP7A | | Descriptor: | Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, Migliardi, M, Nushi, F, Natile, G, Rosato, A. | | Deposit date: | 2009-05-06 | | Release date: | 2009-08-25 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution structures of the actuator domain of ATP7A and ATP7B, the Menkes and Wilson disease proteins
Biochemistry, 48, 2009
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1QPU
 | | SOLUTION STRUCTURE OF OXIDIZED ESCHERICHIA COLI CYTOCHROME B562 | | Descriptor: | CYTOCHROME B562, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Arnesano, F, Banci, L, Bertini, I, Faraone-Mennella, J, Rosato, A, Barker, P.D, Fersht, A.R. | | Deposit date: | 1999-05-30 | | Release date: | 1999-06-02 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of oxidized Escherichia coli cytochrome b562.
Biochemistry, 38, 1999
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1KX7
 | | Family of 30 conformers of a mono-heme ferrocytochrome c from Shewanella putrefaciens solved by NMR | | Descriptor: | HEME C, mono-heme c-type cytochrome ScyA | | Authors: | Bartalesi, I, Bertini, I, Hajieva, P, Rosato, A, Vasos, P.R. | | Deposit date: | 2002-01-31 | | Release date: | 2002-02-13 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a monoheme ferrocytochrome c from Shewanella putrefaciens and structural analysis of sequence-similar proteins: functional implications.
Biochemistry, 41, 2002
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1LM0
 | | Solution structure and characterization of the heme chaperone CcmE | | Descriptor: | cytochrome c maturation protein E | | Authors: | Arnesano, F, Banci, L, Barker, P.D, Bertini, I, Rosato, A, Su, X.C, Viezzoli, M.S. | | Deposit date: | 2002-04-30 | | Release date: | 2002-12-25 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure and characterization of the heme chaperone CcmE
Biochemistry, 41, 2002
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1Y3K
 | | Solution structure of the apo form of the fifth domain of Menkes protein | | Descriptor: | Copper-transporting ATPase 1 | | Authors: | Banci, L, Chasapis, C.T, Ciofi-Baffoni, S, Hadjiliadis, N, Rosato, A, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2004-11-25 | | Release date: | 2005-03-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | An NMR study of the interaction between the human copper(I) chaperone and the second and fifth metal-binding domains of the Menkes protein
Febs J., 272, 2005
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1Y3J
 | | Solution structure of the copper(I) form of the fifth domain of Menkes protein | | Descriptor: | COPPER (II) ION, Copper-transporting ATPase 1 | | Authors: | Banci, L, Chasapis, C.T, Ciofi-Baffoni, S, Hadjiliadis, N, Rosato, A, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2004-11-25 | | Release date: | 2005-03-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | An NMR study of the interaction between the human copper(I) chaperone and the second and fifth metal-binding domains of the Menkes protein
Febs J., 272, 2005
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1YJU
 | | Solution structure of the apo form of the sixth soluble domain of Menkes protein | | Descriptor: | Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, Migliardi, M, Rosato, A, Wang, S, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2005-01-15 | | Release date: | 2006-01-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | An atomic-level investigation of the disease-causing A629P mutant of the Menkes protein, ATP7A
J.Mol.Biol., 352, 2005
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1YJT
 | | Solution structure of the Cu(I) form of the sixth soluble domain A69P mutant of Menkes protein | | Descriptor: | COPPER (I) ION, Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, Migliardi, M, Rosato, A, Wang, S. | | Deposit date: | 2005-01-15 | | Release date: | 2006-01-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | An atomic-level investigation of the disease-causing A629P mutant of the Menkes protein, ATP7A
J.Mol.Biol., 352, 2005
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1YJR
 | | Solution structure of the apo form of the sixth soluble domain A69P mutant of Menkes protein | | Descriptor: | Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, Migliardi, M, Rosato, A, Wang, S, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2005-01-15 | | Release date: | 2006-01-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | An atomic-level investigation of the disease-causing A629P mutant of the Menkes protein, ATP7A
J.Mol.Biol., 352, 2005
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1YJV
 | | Solution structure of the Cu(I) form of the sixth soluble domain of Menkes protein | | Descriptor: | COPPER (I) ION, Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, Migliardi, M, Rosato, A, Wang, S. | | Deposit date: | 2005-01-15 | | Release date: | 2006-01-03 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | An atomic-level investigation of the disease-causing A629P mutant of the Menkes protein, ATP7A
J.Mol.Biol., 352, 2005
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1KX2
 | | Minimized average structure of a mono-heme ferrocytochrome c from Shewanella putrefaciens | | Descriptor: | HEME C, mono-heme c-type cytochrome ScyA | | Authors: | Bartalesi, I, Bertini, I, Hajieva, P, Rosato, A, Vasos, P.R. | | Deposit date: | 2002-01-30 | | Release date: | 2002-02-13 | | Last modified: | 2024-10-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a monoheme ferrocytochrome c from Shewanella putrefaciens and structural analysis of sequence-similar proteins: functional implications.
Biochemistry, 41, 2002
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2GGP
 | | Solution structure of the Atx1-Cu(I)-Ccc2a complex | | Descriptor: | COPPER (I) ION, Metal homeostasis factor ATX1, Probable copper-transporting ATPase | | Authors: | Banci, L, Bertini, I, Cantini, F, Felli, I.C, Gonnelli, L, Hadjiliadis, N, Pierattelli, R, Rosato, A, Voulgaris, P, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2006-03-24 | | Release date: | 2006-08-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | The Atx1-Ccc2 complex is a metal-mediated protein-protein interaction.
Nat.Chem.Biol., 2, 2006
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2GA7
 | | Solution structure of the copper(I) form of the third metal-binding domain of ATP7A protein (menkes disease protein) | | Descriptor: | COPPER (I) ION, Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, DellaMalva, N, Rosato, A, Herrmann, T, Wuthrich, K, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2006-03-08 | | Release date: | 2006-08-01 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure and intermolecular interactions of the third metal-binding domain of ATP7A, the Menkes disease protein.
J.Biol.Chem., 281, 2006
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2G9O
 | | Solution structure of the apo form of the third metal-binding domain of ATP7A protein (Menkes Disease protein) | | Descriptor: | Copper-transporting ATPase 1 | | Authors: | Banci, L, Bertini, I, Cantini, F, DellaMalva, N, Rosato, A, Herrmann, T, Wuthrich, K, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2006-03-07 | | Release date: | 2006-08-01 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure and intermolecular interactions of the third metal-binding domain of ATP7A, the Menkes disease protein.
J.Biol.Chem., 281, 2006
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2ZOC
 | | Crystal structure of recombinant human annexin IV | | Descriptor: | Annexin A4, CALCIUM ION | | Authors: | Konno, M, Kaneko-Kanzaki, Y, Fushinobu-Okushi, N, Mochizuki, K, Uchikaw, E, Satoh, A, Aikawa, K. | | Deposit date: | 2008-05-08 | | Release date: | 2009-04-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The comparison of the loop structure of membrane binding sites between human and bovine annexin IV
To be Published
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6B33
 | | Structure of RORgt in complex with a novel inverse agonist 3 | | Descriptor: | (2R)-N~2~-(3-chloro-4-cyanophenyl)-N~4~-[3-(cyclopropylmethyl)-2,4-dioxo-1-(propan-2-yl)-1,2,3,4-tetrahydroquinazolin-6-yl]morpholine-2,4-dicarboxamide, Nuclear receptor ROR-gamma | | Authors: | Skene, R.J, Hoffman, I, Snell, G. | | Deposit date: | 2017-09-20 | | Release date: | 2018-11-21 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Design and Synthesis of Conformationally Constrained ROR gamma t Inverse Agonists.
Chemmedchem, 2019
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3AHP
 | | Crystal structure of stable protein, CutA1, from a psychrotrophic bacterium Shewanella sp. SIB1 | | Descriptor: | CutA1 | | Authors: | Tanaka, S, Angkawidjaja, C, Koga, Y, Takano, K, Kanaya, S. | | Deposit date: | 2010-04-26 | | Release date: | 2011-01-05 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Crystal structure of stable protein CutA1 from psychrotrophic bacterium Shewanella sp. SIB1
J.SYNCHROTRON RADIAT., 18, 2011
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3EBX
 | | REFINEMENT AT 1.4 ANGSTROMS RESOLUTION OF A MODEL OF ERABUTOXIN B. TREATMENT OF ORDERED SOLVENT AND DISCRETE DISORDER | | Descriptor: | ERABUTOXIN B, SULFATE ION | | Authors: | Smith, J.L, Corfield, P.W.R, Hendrickson, W.A, Low, B.W. | | Deposit date: | 1988-01-15 | | Release date: | 1988-04-16 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Refinement at 1.4 A resolution of a model of erabutoxin b: treatment of ordered solvent and discrete disorder.
Acta Crystallogr.,Sect.A, 44, 1988
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6E3E
 | | Structure of RORgt in complex with a novel inverse agonist. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid, Nuclear receptor ROR-gamma, ... | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2018-07-13 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist.
J.Med.Chem., 62, 2019
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6E3G
 | | Structure of RORgt in complex with a novel agonist. | | Descriptor: | (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide, 1,2-ETHANEDIOL, Nuclear receptor ROR-gamma, ... | | Authors: | Skene, R.J, Hoffman, I. | | Deposit date: | 2018-07-13 | | Release date: | 2019-06-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, Synthesis, and Biological Evaluation of Retinoic Acid-Related Orphan Receptor gamma t (ROR gamma t) Agonist Structure-Based Functionality Switching Approach from In House ROR gamma t Inverse Agonist to ROR gamma t Agonist.
J.Med.Chem., 62, 2019
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7VU6
 | | The crystal structure of SARS-CoV-2 3CL protease in complex with compound 3 | | Descriptor: | 3C-like proteinase, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Yamamoto, S, Yamane, J, Tachibana, Y. | | Deposit date: | 2021-11-01 | | Release date: | 2022-04-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65, 2022
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