1BUX
 
 | | 3'-PHOSPHORYLATED NUCLEOTIDES BINDING TO NUCLEOSIDE DIPHOSPHATE KINASE | | Descriptor: | 3'-PHOSPHATE-ADENOSINE-5'-PHOSPHATE SULFATE, NUCLEOSIDE DIPHOSPHATE KINASE | | Authors: | Xu, Y, Schneider, B, Deville-Bonne, D, Veron, M, Janin, J. | | Deposit date: | 1998-09-07 | | Release date: | 1999-04-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 3'-Phosphorylated nucleotides are tight binding inhibitors of nucleoside diphosphate kinase activity.
J.Biol.Chem., 273, 1998
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1D88
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1CYC
 | | THE CRYSTAL STRUCTURE OF BONITO (KATSUO) FERROCYTOCHROME C AT 2.3 ANGSTROMS RESOLUTION. II. STRUCTURE AND FUNCTION | | Descriptor: | FERROCYTOCHROME C, HEME C | | Authors: | Tanaka, N, Yamane, T, Tsukihara, T, Ashida, T, Kakudo, M. | | Deposit date: | 1976-08-01 | | Release date: | 1976-10-06 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The crystal structure of bonito (katsuo) ferrocytochrome c at 2.3 A resolution. II. Structure and function.
J.Biochem.(Tokyo), 77, 1975
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1D2P
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1D1O
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1D2O
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8VYG
 | | SARS-CoV-2 S RBD (C.37 Lambda variant) plus S309 Fab, local refinement | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S309 Heavy Chain, S309 Light Chain, ... | | Authors: | McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2024-02-08 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features.
Nat Commun, 15, 2024
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8VYE
 | | SARS-CoV-2 S (C.37 Lambda variant) plus S309, S2L20, and S2X303 Fabs | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Heavy Chain, S2L20 Light Chain, ... | | Authors: | McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2024-02-08 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features.
Nat Commun, 15, 2024
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8VYF
 | | SARS-CoV-2 S NTD (C.37 Lambda variant) plus S2L20 and S2X303 Fabs, local refinement | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 Heavy Chain, ... | | Authors: | McCallum, M, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | | Deposit date: | 2024-02-08 | | Release date: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Quantifying how single dose Ad26.COV2.S vaccine efficacy depends on Spike sequence features.
Nat Commun, 15, 2024
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1D87
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1CLF
 | | CLOSTRIDIUM PASTEURIANUM FERREDOXIN | | Descriptor: | FERREDOXIN, IRON/SULFUR CLUSTER | | Authors: | Bertini, I, Donaire, A, Feinberg, B.A, Luchinat, C, Piccioli, M, Yuan, H. | | Deposit date: | 1995-06-21 | | Release date: | 1996-01-29 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the oxidized 2[4Fe-4S] ferredoxin from Clostridium pasteurianum.
Eur.J.Biochem., 232, 1995
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1DIB
 | | HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY345899 | | Descriptor: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, METHYLENETETRAHYDROFOLATE DEHYDROGENASE/CYCLOHYDROLASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Schmidt, A, Wu, H, MacKenzie, R.E, Chen, V.J, Bewly, J.R, Ray, J.E, Toth, J.E, Cygler, M. | | Deposit date: | 1999-11-29 | | Release date: | 2000-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase.
Biochemistry, 39, 2000
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1DIA
 | | HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY249543 | | Descriptor: | METHYLENETETRAHYDROFOLATE DEHYDROGENASE/CYCLOHYDROLASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID | | Authors: | Schmidt, A, Wu, H, MacKenzie, R.E, Chen, V.J, Bewly, J.R, Ray, J.E, Toth, J.E, Cygler, M. | | Deposit date: | 1999-11-29 | | Release date: | 2000-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase.
Biochemistry, 39, 2000
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1DCL
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1DIG
 | | HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY374571 | | Descriptor: | ACETATE ION, METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Schmidt, A, Wu, H, MacKenzie, R.E, Chen, V.J, Bewly, J.R, Ray, J.E, Toth, J.E, Cygler, M. | | Deposit date: | 1999-11-29 | | Release date: | 2000-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase.
Biochemistry, 39, 2000
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1DKE
 | | NI BETA HEME HUMAN HEMOGLOBIN | | Descriptor: | HEMOGLOBIN: ALPHA CHAIN, HEMOGLOBIN: BETA CHAIN, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Bruno, S, Bettatti, S, Mozzarelli, A, Bolognesi, M, Deriu, D, Rosano, C, Tsuneshige, A, Yonetani, T, Henry, E.R. | | Deposit date: | 1999-12-07 | | Release date: | 2000-05-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Oxygen binding by alpha(Fe2+)2beta(Ni2+)2 hemoglobin crystals.
Protein Sci., 9, 2000
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1DK0
 | | CRYSTAL STRUCTURE OF THE HEMOPHORE HASA FROM SERRATIA MARCESCENS CRYSTAL FORM P2(1), PH8 | | Descriptor: | HEME-BINDING PROTEIN A, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Arnoux, P, Haser, R, Izadi-Pruneyre, N, Lecroisey, A, Czjzek, M. | | Deposit date: | 1999-12-06 | | Release date: | 2000-12-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Functional aspects of the heme bound hemophore HasA by structural analysis of various crystal forms.
Proteins, 41, 2000
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1DKH
 | | CRYSTAL STRUCTURE OF THE HEMOPHORE HASA, PH 6.5 | | Descriptor: | HEME-BINDING PROTEIN A, PROTOPORPHYRIN IX CONTAINING FE, SAMARIUM (III) ION, ... | | Authors: | Arnoux, P, Haser, R, Izadi-Pruneyre, N, Lecroisey, A, Czjzek, M. | | Deposit date: | 1999-12-07 | | Release date: | 2000-12-27 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Functional aspects of the heme bound hemophore HasA by structural analysis of various crystal forms.
Proteins, 41, 2000
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4RMG
 | | Human Sirt2 in complex with SirReal2 and NAD+ | | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, NAD-dependent protein deacetylase sirtuin-2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4RMJ
 | | Human Sirt2 in complex with ADP ribose and nicotinamide | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4RMI
 | | Human Sirt2 in complex with SirReal1 and Ac-Lys-OTC peptide | | Descriptor: | Ac-Lys-OTC peptide, N-(5-benzyl-1,3-thiazol-2-yl)-2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetamide, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-25 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4RMH
 | | Human Sirt2 in complex with SirReal2 and Ac-Lys-H3 peptide | | Descriptor: | 2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-[5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-yl]acetamide, Ac-Lys-H3 peptide, NAD-dependent protein deacetylase sirtuin-2, ... | | Authors: | Rumpf, T, Schiedel, M, Karaman, B, Roessler, C, North, B.J, Lehotzky, A, Olah, J, Ladwein, K.I, Schmidtkunz, K, Gajer, M, Pannek, M, Steegborn, C, Sinclair, D.A, Gerhardt, S, Ovadi, J, Schutkowski, M, Sippl, W, Einsle, O, Jung, M. | | Deposit date: | 2014-10-21 | | Release date: | 2015-02-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Selective Sirt2 inhibition by ligand-induced rearrangement of the active site.
Nat Commun, 6, 2015
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4UIB
 | | Crystal structure of 3p in complex with tafCPB | | Descriptor: | (2S)-6-AMINO-2-[[(1R)-1-(CYCLOHEXYLMETHYL)-2-OXO-2-[[(2S)-1,7,7-TRIMETHYLNORBORNAN-2-YL]AMINO]ETHYL]ARBAMOYLAMINO]HEXANOIC ACID, ACETATE ION, CARBOXYPEPTIDASE B, ... | | Authors: | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | | Deposit date: | 2015-03-27 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
J.Med.Chem., 58, 2015
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4UIA
 | | Crystal structure of 3a in complex with tafCPB | | Descriptor: | (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid, CARBOXYPEPTIDASE B, ZINC ION | | Authors: | Halland, N, Broenstrup, M, Czech, J, Czechtizky, W, Evers, A, Follmann, M, Kohlmann, M, Schiell, M, Kurz, M, Schreuder, H.A, Kallus, C. | | Deposit date: | 2015-03-27 | | Release date: | 2015-06-03 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Novel Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (Tafia) from Natural Product Anabaenopeptin.
J.Med.Chem., 58, 2015
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4USO
 | | X-ray structure of the CCL2 lectin in complex with sialyl lewis X | | Descriptor: | CCL2 LECTIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Bleuler-Martinez, S, Varrot, A, Schubert, M, Stutz, M, Sieber, R, Hengartner, M, Aebi, M, Kunzler, M. | | Deposit date: | 2014-07-11 | | Release date: | 2015-07-22 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Dimerization of the fungal defense lectin CCL2 is essential for its toxicity against nematodes.
Glycobiology, 27, 2017
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