1E1F
 
 | | Crystal structure of a Monocot (Maize ZMGlu1) beta-glucosidase in complex with p-Nitrophenyl-beta-D-thioglucoside | | Descriptor: | 4-nitrophenyl 1-thio-beta-D-glucopyranoside, BETA-GLUCOSIDASE | | Authors: | Czjzek, M, Cicek, M, Bevan, D.R, Henrissat, B, Esen, A. | | Deposit date: | 2000-05-03 | | Release date: | 2001-02-19 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal Structure of a Monocotyledon (Maize Zmglu1) Beta-Glucosidase and a Model of its Complex with P-Nitrophenyl Beta-D-Thioglucoside
Biochem.J., 354, 2001
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1E32
 | | Structure of the N-Terminal domain and the D1 AAA domain of membrane fusion ATPase p97 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, P97 | | Authors: | Zhang, X, Shaw, A, Bates, P.A, Gorman, M.A, Kondo, H, Dokurno, P, Leonard M, G, Sternberg, J.E, Freemont, P.S. | | Deposit date: | 2000-06-05 | | Release date: | 2001-05-31 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structure of the Aaa ATPase P97
Mol.Cell, 6, 2000
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1E2E
 | | Human thymidylate kinase complexed with thymidine monophosphate, adenosine diphosphate,a magnesium-ion and ALf3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, MAGNESIUM ION, ... | | Authors: | Ostermann, N, Schlichting, I, Brundiers, R, Konrad, M, Reinstein, J, Veit, T, Goody, R.S, Lavie, A. | | Deposit date: | 2000-05-22 | | Release date: | 2001-05-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Insights Into the Phosphoryltransfer Mechanism of Human Thymidylate Kinase Gained from Crystal Structures of Enzyme Complexes Along the Reaction Coordinate
Structure, 8, 2000
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1DW5
 | | NMR STRUCTURE OF OMEGA-CONOTOXIN MVIIA: NO CONSTRAINTS ON DISULPHIDE BRIDGES | | Descriptor: | OMEGA-CONOTOXIN MVIIA | | Authors: | Atkinson, R.A, Kieffer, B, Dejaegere, A, Sirockin, F, Lefevre, J.-F. | | Deposit date: | 2000-01-24 | | Release date: | 2000-03-01 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Structural and dynamic characterization of omega-conotoxin MVIIA: the binding loop exhibits slow conformational exchange.
Biochemistry, 39, 2000
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4UUC
 | | Crystal structure of human ASB11 ankyrin repeat domain | | Descriptor: | ANKYRIN REPEAT AND SOCS BOX PROTEIN 11 | | Authors: | Pinkas, D.M, Sanvitale, C, Kragh Nielsen, T, Guo, K, Sorrell, F, Berridge, G, Ayinampudi, V, Wang, D, Newman, J.A, Tallant, C, Chaikuad, A, Canning, P, Kopec, J, Krojer, T, Vollmar, M, Allerston, C.K, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Bullock, A. | | Deposit date: | 2014-07-25 | | Release date: | 2014-08-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of Human Asb11 Ankyrin Repeat Domain
To be Published
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4UV9
 | | LSD1(KDM1A)-CoREST in complex with 1-Ethyl-Tranylcypromine | | Descriptor: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate | | Authors: | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | Deposit date: | 2014-08-05 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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1DNX
 | | RNA/DNA DODECAMER R(G)D(CGTATACGC) WITH MAGNESIUM BINDING SITES | | Descriptor: | DNA/RNA (5'-R(*GP)-D(*CP*GP*TP*AP*TP*AP*CP*GP*C)-3'), MAGNESIUM ION | | Authors: | Robinson, H, Gao, Y.-G, Sanishvili, R, Joachimiak, A, Wang, A.H.-J. | | Deposit date: | 1999-12-16 | | Release date: | 2000-04-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hexahydrated magnesium ions bind in the deep major groove and at the outer mouth of A-form nucleic acid duplexes.
Nucleic Acids Res., 28, 2000
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1DO4
 | | CARBONMONOXY-MYOGLOBIN (MUTANT L29W) AFTER PHOTOLYSIS AT T<180K | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Ostermann, A, Waschipky, R, Parak, F.G, Nienhaus, G.U. | | Deposit date: | 1999-12-18 | | Release date: | 2000-01-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Ligand binding and conformational motions in myoglobin.
Nature, 404, 2000
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8GVB
 | | The complex between public TCR TD08 and HLA-A24 bound to HIV-1 Nef138-8 peptide | | Descriptor: | 8-mer peptide from Protein Nef, Beta-2-microglobulin, MHC class I antigen, ... | | Authors: | Gao, G.F, Shi, Y, Ma, K, Chai, Y, Guan, J, Qi, J, Tan, S, Dong, T, Iwamoto, A, Kawana-Tachikawa, A. | | Deposit date: | 2022-09-14 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors.
J Immunol., 209, 2022
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1DPL
 | | A-DNA DECAMER GCGTA(T23)TACGC WITH INCORPORATED 2'-METHOXY-3'-METHYLENEPHOSPHATE-THYMIDINE | | Descriptor: | 5'-D(*GP*CP*GP*TP*AP*(T23)P*AP*CP*GP*C)-3', MAGNESIUM ION, SPERMINE | | Authors: | Egli, M, Tereshko, V, Teplova, M, Minasov, G, Joachimiak, A, Sanishvili, R, Weeks, C.M, Miller, R, Maier, M.A, An, H, Dan Cook, P, Manoharan, M. | | Deposit date: | 1999-12-27 | | Release date: | 2000-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (0.83 Å) | | Cite: | X-ray crystallographic analysis of the hydration of A- and B-form DNA at atomic resolution.
Biopolymers, 48, 1998
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8GVG
 | | The complex between public TCR TD08 and HLA-A24 bound to HIV-1 Nef138-8 (2F) peptide | | Descriptor: | Beta-2-microglobulin, MHC class I antigen, TD08 TCR alpha chain, ... | | Authors: | Gao, G.F, Shi, Y, Ma, K, Chai, Y, Guan, J, Qi, J, Tan, S, Dong, T, Iwamoto, A, Kawana-Tachikawa, A. | | Deposit date: | 2022-09-15 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.37 Å) | | Cite: | Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors.
J Immunol., 209, 2022
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4UVC
 | | LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine | | Descriptor: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate | | Authors: | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | Deposit date: | 2014-08-05 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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1DMT
 | | STRUCTURE OF HUMAN NEUTRAL ENDOPEPTIDASE COMPLEXED WITH PHOSPHORAMIDON | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ... | | Authors: | Oefner, C, D'Arcy, A, Hennig, M, Winkler, F.K, Dale, G.E. | | Deposit date: | 1999-12-15 | | Release date: | 2000-12-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of human neutral endopeptidase (Neprilysin) complexed with phosphoramidon.
J.Mol.Biol., 296, 2000
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1DNT
 | | RNA/DNA DODECAMER R(GC)D(GTATACGC) WITH MAGNESIUM BINDING SITES | | Descriptor: | DNA/RNA (5'-R(*GP*CP)-D(*GP*TP*AP*TP*AP*CP*GP*C)-3'), MAGNESIUM ION | | Authors: | Robinson, H, Gao, Y.-G, Sanishvili, R, Joachimiak, A, Wang, A.H.-J. | | Deposit date: | 1999-12-16 | | Release date: | 2000-04-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hexahydrated magnesium ions bind in the deep major groove and at the outer mouth of A-form nucleic acid duplexes.
Nucleic Acids Res., 28, 2000
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1DO1
 | | CARBONMONOXY-MYOGLOBIN MUTANT L29W AT 105K | | Descriptor: | CARBON MONOXIDE, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Ostermann, A, Waschipky, R, Parak, F.G, Nienhaus, G.U. | | Deposit date: | 1999-12-18 | | Release date: | 2000-01-05 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Ligand binding and conformational motions in myoglobin.
Nature, 404, 2000
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1DO9
 | | SOLUTION STRUCTURE OF OXIDIZED MICROSOMAL RABBIT CYTOCHROME B5. FACTORS DETERMINING THE HETEROGENEOUS BINDING OF THE HEME. | | Descriptor: | CYTOCHROME B5, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Banci, L, Bertini, I, Rosato, A, Scacchieri, S. | | Deposit date: | 1999-12-20 | | Release date: | 2000-01-05 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Solution structure of oxidized microsomal rabbit cytochrome b5. Factors determining the heterogeneous binding of the heme.
Eur.J.Biochem., 267, 2000
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8GVI
 | | The complex between H25-11 TCR and HLA-A24 bound to HIV-1 Nef138-8 peptide | | Descriptor: | 8-mer peptide from Protein Nef, Beta-2-microglobulin, H25-11 TCR alpha chain, ... | | Authors: | Gao, G.F, Shi, Y, Tan, S, Ma, K, Chai, Y, Qi, J, Kawana-Tachikawa, A, Iwamoto, A, Dong, T, Guan, J. | | Deposit date: | 2022-09-15 | | Release date: | 2022-10-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Molecular Basis for the Recognition of HIV Nef138-8 Epitope by a Pair of Human Public T Cell Receptors.
J Immunol., 209, 2022
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1DN3
 | | NMR STRUCTURE OF A MODEL HYDROPHILIC AMPHIPATHIC HELICAL BASIC PEPTIDE | | Descriptor: | HUMAN PLATELET FACTOR 4, SEGMENT 59-73 | | Authors: | Montserret, R, McLeish, M.J, Bockmann, A, Geourjon, C, Penin, F. | | Deposit date: | 1999-12-16 | | Release date: | 2000-01-12 | | Last modified: | 2024-04-10 | | Method: | SOLUTION NMR | | Cite: | Involvement of electrostatic interactions in the mechanism of peptide folding induced by sodium dodecyl sulfate binding.
Biochemistry, 39, 2000
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4UVA
 | | LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S) | | Descriptor: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate | | Authors: | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | Deposit date: | 2014-08-05 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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1DPN
 | | B-DODECAMER CGCGAA(TAF)TCGCG WITH INCORPORATED 2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL THYMINE | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*AP*AP*(TAF)P*TP*CP*GP*CP*G)-3'), MAGNESIUM ION | | Authors: | Egli, M, Tereshko, V, Teplova, M, Minasov, G, Joachimiak, A, Sanishvili, R, Weeks, C.M, Miller, R, Maier, M.A, An, H, Dan Cook, P, Manoharan, M. | | Deposit date: | 1999-12-27 | | Release date: | 2000-04-04 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (0.95 Å) | | Cite: | X-ray crystallographic analysis of the hydration of A- and B-form DNA at atomic resolution.
Biopolymers, 48, 1998
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8GZ5
 | | Crystal structure of neutralizing VHH P17 in complex with SARS-CoV-2 Alpha variant spike receptor-binding domain | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody P17, ... | | Authors: | Yamaguchi, K, Anzai, I, Maeda, R, Moriguchi, M, Watanabe, T, Imura, A, Takaori-Kondo, A, Inoue, T. | | Deposit date: | 2022-09-25 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into the rational design of a nanobody that binds with high affinity to the SARS-CoV-2 spike variant.
J.Biochem., 173, 2023
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8GZ6
 | | Crystal structure of neutralizing VHH P17 in complex with SARS-CoV-2 Alpha variant spike receptor-binding domain | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Nanobody P17 | | Authors: | Yamaguchi, K, Anzai, I, Maeda, R, Moriguchi, M, Watanabe, T, Imura, A, Takaori-Kondo, A, Inoue, T. | | Deposit date: | 2022-09-25 | | Release date: | 2022-12-07 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural insights into the rational design of a nanobody that binds with high affinity to the SARS-CoV-2 spike variant.
J.Biochem., 173, 2023
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1DUM
 | | NMR STRUCTURE OF [F5Y, F16W] MAGAININ 2 BOUND TO PHOSPHOLIPID VESICLES | | Descriptor: | MAGAININ 2 | | Authors: | Takeda, A, Wakamatsu, K, Tachi, T, Matsuzaki, K. | | Deposit date: | 2000-01-18 | | Release date: | 2001-06-27 | | Last modified: | 2021-11-03 | | Method: | SOLUTION NMR | | Cite: | Effects of peptide dimerization on pore formation: Antiparallel disulfide-dimerized magainin 2 analogue.
Biopolymers, 58, 2001
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4UVB
 | | LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1S,2R) | | Descriptor: | LYSINE-SPECIFIC HISTONE DEMETHYLASE 1A, REST COREPRESSOR 1, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate | | Authors: | Vianello, P, Botrugno, O, Cappa, A, Ciossani, G, Dessanti, P, Mai, A, Mattevi, A, Meroni, G, Minucci, S, Thaler, F, Tortorici, M, Trifiro, P, Valente, S, Villa, M, Varasi, M, Mercurio, C. | | Deposit date: | 2014-08-05 | | Release date: | 2014-09-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Synthesis, Biological Activity and Mechanistic Insights of 1-Substituted Cyclopropylamine Derivatives: A Novel Class of Irreversible Inhibitors of Histone Demethylase Kdm1A.
Eur.J.Med.Chem., 86C, 2014
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1E0Q
 | | Mutant Peptide from the first N-terminal 17 amino-acid of Ubiquitin | | Descriptor: | POLYUBIQUITIN-B | | Authors: | Zerella, R, Chen, P.Y, Evans, P.A, Raine, A, Williams, D.H. | | Deposit date: | 2000-04-05 | | Release date: | 2001-01-16 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Structural Characterization of a Mutant Peptide Derived from Ubiquitin: Implications for Protein Folding.
Protein Sci., 9, 2000
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