5HBI
 
 | | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, CO-LIGANDED FORM | | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Royer Junior, W.E. | | Deposit date: | 1998-06-24 | | Release date: | 1998-11-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
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6HBI
 | | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72V, DEOXY FORM | | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Royer Junior, W.E. | | Deposit date: | 1998-06-25 | | Release date: | 1998-11-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
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1CDM
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2HBS
 | | THE HIGH RESOLUTION CRYSTAL STRUCTURE OF DEOXYHEMOGLOBIN S | | Descriptor: | HEMOGLOBIN S (DEOXY), ALPHA CHAIN, BETA CHAIN, ... | | Authors: | Harrington, D.J, Adachi, K, Royer Junior, W.E. | | Deposit date: | 1997-05-06 | | Release date: | 1997-07-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | The high resolution crystal structure of deoxyhemoglobin S.
J.Mol.Biol., 272, 1997
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3LHB
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4SDH
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7AKK
 | | Structure of a complement factor-receptor complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3 beta chain, Complement C3b alpha' chain, ... | | Authors: | Fernandez, F.J, Santos-Lopez, J, Martinez-Barricarte, R, Querol-Garcia, J, Navas-Yuste, S, Savko, M, Shepard, W.E, Rodriguez de Cordoba, S, Vega, M.C. | | Deposit date: | 2020-10-01 | | Release date: | 2022-04-13 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.395 Å) | | Cite: | The crystal structure of iC3b-CR3 alpha I reveals a modular recognition of the main opsonin iC3b by the CR3 integrin receptor
Nat Commun, 13, 2022
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7Z6U
 | | Pim1 in complex with (E)-4-((6-amino-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | | Descriptor: | 4-[(~{E})-(6-azanyl-2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Isoform 1 of Serine/threonine-protein kinase pim-1, ... | | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | | Deposit date: | 2022-03-14 | | Release date: | 2023-02-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase.
Eur.J.Med.Chem., 245, 2023
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1J6X
 | | CRYSTAL STRUCTURE OF HELICOBACTER PYLORI LUXS | | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | | Deposit date: | 2001-05-14 | | Release date: | 2001-06-08 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
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1J6V
 | | CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, C2 | | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, ZINC ION | | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | | Deposit date: | 2001-05-14 | | Release date: | 2001-06-08 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
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1J6W
 | | CRYSTAL STRUCTURE OF HAEMOPHILUS INFLUENZAE LUXS | | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | | Deposit date: | 2001-05-14 | | Release date: | 2001-06-08 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs.
Structure, 9, 2001
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4HBI
 | | SCAPHARCA DIMERIC HEMOGLOBIN, MUTANT T72I, DEOXY FORM | | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Royer Junior, W.E. | | Deposit date: | 1998-06-24 | | Release date: | 1998-11-11 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Mutational destabilization of the critical interface water cluster in Scapharca dimeric hemoglobin: structural basis for altered allosteric activity.
J.Mol.Biol., 284, 1998
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1HBS
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3CKT
 | | HIV-1 protease in complex with a dimethylallyl decorated pyrrolidine based inhibitor (orthorombic space group) | | Descriptor: | (3S,4S),-3,4-Bis-[(4-carbamoyl-benzensulfonyl)-(3-methyl-but-2-enyl)-amino]-pyrrolidine, CHLORIDE ION, Protease | | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | | Deposit date: | 2008-03-17 | | Release date: | 2009-03-24 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Two Solutions for the Same Problem: Multiple Binding Modes of Pyrrolidine-Based HIV-1 Protease Inhibitors
J.Mol.Biol., 410, 2011
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4K14
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4K8J
 | | Crystal Structure of Staphylococcal nuclease mutant V23L/V66I | | Descriptor: | Thermonuclease | | Authors: | Sanders, J.M, Gill, E, Roeser, J.R, Janowska, K, Sakon, J, Stites, W.E. | | Deposit date: | 2013-04-18 | | Release date: | 2013-05-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Hydrophobic core mutants of Staphylococcal nuclease
To be Published
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4BG2
 | | X-ray Crystal Structure of PatF from Prochloron didemni | | Descriptor: | PATF | | Authors: | Bent, A.F, Koehnke, J, Houssen, W.E, Smith, M.C.M, Jaspars, M, Naismith, J.H. | | Deposit date: | 2013-03-22 | | Release date: | 2013-04-03 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Structure of Patf from Prochloron Didemni.
Acta Crystallogr.,Sect.F, 69, 2013
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3DL6
 | | Crystal Structure of the A287F/S290G Active Site Mutant of TS-DHFR from Cryptosporidium hominis | | Descriptor: | 10-PROPARGYL-5,8-DIDEAZAFOLIC ACID, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, DIHYDROFOLIC ACID, ... | | Authors: | Martucci, W.E, Vargo, M.A, Anderson, K.S. | | Deposit date: | 2008-06-26 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase.
Biochemistry, 47, 2008
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2VER
 | | Structural model for the complex between the Dr adhesins and carcinoembryonic antigen (CEA) | | Descriptor: | AFIMBRIAL ADHESIN AFA-III, ARCINOEMBRYONIC ANTIGEN-RELATED CELL ADHESION MOLECULE 5, S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate | | Authors: | Korotkova, N, Yang, Y, Le Trong, I, Cota, E, Demeler, B, Marchant, J, Thomas, W.E, Stenkamp, R.E, Moseley, S.L, Matthews, S. | | Deposit date: | 2007-10-26 | | Release date: | 2008-01-08 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Binding of Dr Adhesins of Escherichia Coli to Carcinoembryonic Antigen Triggers Receptor Dissociation.
Mol.Microbiol., 67, 2008
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8VJ0
 | | Neutron Structure of Oxidized Trp161Phe MnSOD | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-31 | | Last modified: | 2024-10-16 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
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8VJ8
 | | X-ray Counterpart to Neutron Structure of Reduced Trp161Phe MnSOD | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
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8VJ4
 | | X-ray Counterpart to the Neutron Structure of Peroxide-Soaked Trp161Phe MnSOD | | Descriptor: | HYDROGEN PEROXIDE, MANGANESE (II) ION, Superoxide dismutase [Mn], ... | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
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8VHW
 | | Neutron Structure of Peroxide-Soaked Trp161Phe MnSOD | | Descriptor: | HYDROGEN PEROXIDE, MANGANESE (II) ION, Superoxide dismutase [Mn], ... | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-02 | | Release date: | 2024-07-31 | | Last modified: | 2024-10-16 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
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8VJ5
 | | Peroxide-Soaked MnSOD | | Descriptor: | HYDROGEN PEROXIDE, MANGANESE (II) ION, PHOSPHATE ION, ... | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-05 | | Release date: | 2024-07-31 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
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8VHY
 | | Neutron Structure of Reduced Trp161Phe MnSOD | | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial | | Authors: | Azadmanesh, J, Slobodnik, K, Struble, L.R, Lutz, W.E, Coates, L, Weiss, K.L, Myles, D.A.A, Kroll, T, Borgstahl, G.E.O. | | Deposit date: | 2024-01-02 | | Release date: | 2024-07-31 | | Last modified: | 2024-10-16 | | Method: | NEUTRON DIFFRACTION (2.3 Å) | | Cite: | Revealing the atomic and electronic mechanism of human manganese superoxide dismutase product inhibition.
Nat Commun, 15, 2024
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