1IEN
 
 | | SOLUTION STRUCTURE OF TIA | | Descriptor: | PROTEIN TIA | | Authors: | Sharpe, I.A, Gehrmann, J, Loughnan, M.L, Thomas, L, Adams, D.A, Atkins, A, Palant, E, Craik, D.J, Adams, D.J, Alewood, P.F, Lewis, R.J. | | Deposit date: | 2001-04-10 | | Release date: | 2002-04-03 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Two new classes of conopeptides inhibit the alpha1-adrenoceptor and noradrenaline transporter.
Nat.Neurosci., 4, 2001
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8UPS
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 5 | | Descriptor: | (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5, PHOSPHATE ION | | Authors: | Wu, Y, Qiang, D, Zhuang, N, Krishnamurthy, H, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8UPW
 | | Structure of SARS-Cov2 3CLPro in complex with Compound 34 | | Descriptor: | 3C-like proteinase nsp5, methyl {(2S)-1-[(1S,3aR,6aS)-1-{[(2R,3S,6S)-6-fluoro-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]carbamoyl}hexahydrocyclopenta[c]pyrrol-2(1H)-yl]-3,3-dimethyl-1-oxobutan-2-yl}carbamate | | Authors: | Krishnamurthy, H, Zhuang, N, Qiang, D, Wu, Y, Klein, D.J. | | Deposit date: | 2023-10-23 | | Release date: | 2024-03-06 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Invention of MK-7845, a SARS-CoV-2 3CL Protease Inhibitor Employing a Novel Difluorinated Glutamine Mimic.
J.Med.Chem., 67, 2024
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8U4W
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1DWW
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and dihydrobiopterin | | Descriptor: | 2-AMINO-6-(1,2-DIHYDROXY-PROPYL)-7,8-DIHYDRO-6H-PTERIDIN-4-ONE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1999-12-14 | | Release date: | 2000-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
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8T64
 | | Apo Cam1(42-206) | | Descriptor: | Cam1 | | Authors: | Yu, Y, Patel, D.J. | | Deposit date: | 2023-06-15 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The CRISPR effector Cam1 mediates membrane depolarization for phage defence.
Nature, 625, 2024
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8T66
 | | cA6 bound Cam1 | | Descriptor: | Cam1, RNA (5'-R(P*AP*AP*AP*AP*A)-3') | | Authors: | Yu, Y, Patel, D.J. | | Deposit date: | 2023-06-15 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The CRISPR effector Cam1 mediates membrane depolarization for phage defence.
Nature, 625, 2024
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8T65
 | | cA4 bound Cam1 | | Descriptor: | Cam1, RNA (5'-R(P*AP*AP*AP*A)-3') | | Authors: | Yu, Y, Patel, D.J. | | Deposit date: | 2023-06-15 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | The CRISPR effector Cam1 mediates membrane depolarization for phage defence.
Nature, 625, 2024
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1OJW
 | | Decay accelerating factor (CD55): the structure of an intact human complement regulator. | | Descriptor: | COMPLEMENT DECAY-ACCELERATING FACTOR, GLYCEROL, SULFATE ION | | Authors: | Lukacik, P, Roversi, P, White, J, Esser, D, Smith, G.P, Billington, J, Williams, P.A, Rudd, P.M, Wormald, M.R, Crispin, M.D.M, Radcliffe, C.M, Dwek, C.M, Evans, D.J, Morgan, B.P, Smith, R.A.G, Lea, S.M. | | Deposit date: | 2003-07-16 | | Release date: | 2004-01-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Complement Regulation at the Molecular Level: The Structure of Decay-Accelerating Factor
Proc.Natl.Acad.Sci.USA, 101, 2004
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8TYI
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5FWZ
 | | Fasciola hepatica calcium binding protein FhCaBP2: Structure of the dynein light chain-like domain. P41212 mercury derivative. | | Descriptor: | CALCIUM BINDING PROTEIN, CHLORIDE ION, MERCURY (II) ION | | Authors: | Nguyen, T.H, Thomas, C.M, Timson, D.J, van Raaij, M.J. | | Deposit date: | 2016-02-22 | | Release date: | 2016-04-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Fasciola hepatica calcium-binding protein FhCaBP2: structure of the dynein light chain-like domain.
Parasitol. Res., 115, 2016
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1DWX
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and tetrahydrobiopterin | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1999-12-14 | | Release date: | 2000-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
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1DWV
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and 4-amino tetrahydrobiopterin | | Descriptor: | 2,4-DIAMINO-6-[2,3-DIHYDROXY-PROP-3-YL]-5,6,7,8-TETRAHYDROPTERIDINE, N-OMEGA-HYDROXY-L-ARGININE, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1999-12-14 | | Release date: | 2000-02-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structures of the N(Omega)-Hydroxy-L-Arginine Complex of Inducible Nitric Oxide Synthase Oxygenase Dimer with Active Andinactive Pterins
Biochemistry, 39, 2000
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1NOD
 | | MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER (DELTA 65) WITH TETRAHYDROBIOPTERIN AND SUBSTRATE L-ARGININE | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, NITRIC OXIDE SYNTHASE, ... | | Authors: | Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A. | | Deposit date: | 1998-03-05 | | Release date: | 1999-03-23 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of nitric oxide synthase oxygenase dimer with pterin and substrate.
Science, 279, 1998
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1DNL
 | | X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5'-PHOSPHATE OXIDASE COMPLEXED WITH FMN AT 1.8 ANGSTROM RESOLUTION | | Descriptor: | FLAVIN MONONUCLEOTIDE, PHOSPHATE ION, PYRIDOXINE 5'-PHOSPHATE OXIDASE | | Authors: | Safo, M.K, Mathews, I, Musayev, F.N, di Salvo, M.L, Thiel, D.J, Abraham, D.J, Schirch, V. | | Deposit date: | 1999-12-16 | | Release date: | 2000-01-05 | | Last modified: | 2017-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | X-ray structure of Escherichia coli pyridoxine 5'-phosphate oxidase complexed with FMN at 1.8 A resolution.
Structure Fold.Des., 8, 2000
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4DFR
 | | CRYSTAL STRUCTURES OF ESCHERICHIA COLI AND LACTOBACILLUS CASEI DIHYDROFOLATE REDUCTASE REFINED AT 1.7 ANGSTROMS RESOLUTION. I. GENERAL FEATURES AND BINDING OF METHOTREXATE | | Descriptor: | CALCIUM ION, CHLORIDE ION, DIHYDROFOLATE REDUCTASE, ... | | Authors: | Filman, D.J, Matthews, D.A, Bolin, J.T, Kraut, J. | | Deposit date: | 1982-06-25 | | Release date: | 1982-10-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate.
J.Biol.Chem., 257, 1982
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2RD7
 | | Human Complement Membrane Attack Proteins Share a Common Fold with Bacterial Cytolysins | | Descriptor: | CHLORIDE ION, Complement component C8 alpha chain, Complement component C8 gamma chain | | Authors: | Slade, D.J, Lovelace, L.L, Chruszcz, M, Minor, W, Lebioda, L, Sodetz, J.M. | | Deposit date: | 2007-09-21 | | Release date: | 2008-05-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structure of human C8 protein provides mechanistic insight into membrane pore formation by complement.
J. Biol. Chem., 286, 2011
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2MSQ
 | | Solution study of cBru9a | | Descriptor: | Conotoxin cBru9a | | Authors: | Akcan, M, Clark, R.J, Daly, N.L, Conibear, A.C, de Faoite, A.C, Heghinian, M.C, Adams, D.J, Mari, F, Craik, D.J. | | Deposit date: | 2014-08-05 | | Release date: | 2015-07-22 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Transforming conotoxins into cyclotides: Backbone cyclization of P-superfamily conotoxins.
Biopolymers, 104, 2015
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1IEO
 | | SOLUTION STRUCTURE OF MRIB-NH2 | | Descriptor: | PROTEIN MRIB-NH2 | | Authors: | Sharpe, I.A, Gehrmann, J, Loughnan, M.L, Thomas, L, Adams, D.A, Atkins, A, Palant, E, Craik, D.J, Adams, D.J, Alewood, P.F, Lewis, R.J. | | Deposit date: | 2001-04-10 | | Release date: | 2002-04-03 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Two new classes of conopeptides inhibit the alpha1-adrenoceptor and noradrenaline transporter.
Nat.Neurosci., 4, 2001
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2MSO
 | | Solution study of cGm9a | | Descriptor: | Conotoxin Gm9.1 | | Authors: | Akcan, M, Clark, R.J, Daly, N.L, Conibear, A.C, de Faoite, A.C, Heghinian, M.C, Adams, D.J, Mari, F, Craik, D.J. | | Deposit date: | 2014-08-05 | | Release date: | 2015-07-22 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Transforming conotoxins into cyclotides: Backbone cyclization of P-superfamily conotoxins.
Biopolymers, 104, 2015
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1EWS
 | | THE THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE RABBIT KIDNEY DEFENSIN, RK-1 | | Descriptor: | RK-1 DEFENSIN | | Authors: | McManus, A.M, Dawson, N.F, Wade, J.D, Craik, D.J. | | Deposit date: | 2000-04-26 | | Release date: | 2001-05-02 | | Last modified: | 2022-02-16 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of RK-1: a novel alpha-defensin peptide.
Biochemistry, 39, 2000
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2NS3
 | | Solution structure of ribbon BuIA | | Descriptor: | Alpha-conotoxin BuIA | | Authors: | Jin, A.H, Brandstaetter, H, Nevin, S.T, Tan, C.C, Clark, R.J, Adams, D.J, Alewood, P.F, Craik, D.J, Daly, N.L. | | Deposit date: | 2006-11-03 | | Release date: | 2007-09-25 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Structure of alpha-conotoxin BuIA: influences of disulfide connectivity on structural dynamics
Bmc Struct.Biol., 7, 2007
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4QU3
 | | GES-2 ertapenem acyl-enzyme complex | | Descriptor: | (4R,5S)-3-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, 1,2-ETHANEDIOL, Beta-lactamase GES-2, ... | | Authors: | Stewart, N.K, Smith, C.A, Frase, H, Black, D.J, Vakulenko, S.B. | | Deposit date: | 2014-07-10 | | Release date: | 2014-12-31 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Kinetic and Structural Requirements for Carbapenemase Activity in GES-Type beta-Lactamases.
Biochemistry, 54, 2015
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6FNP
 | | Crystal structure of ECF-CbrT, a cobalamin transporter | | Descriptor: | Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ... | | Authors: | Santos, J.A, Rempel, S, Guskov, A, Slotboom, D.J. | | Deposit date: | 2018-02-05 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Functional and structural characterization of an ECF-type ABC transporter for vitamin B12.
Elife, 7, 2018
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4QXQ
 | | Crystal structure of hSTING(S162A/Q266I) in complex with DMXAA | | Descriptor: | (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid, SULFATE ION, Stimulator of interferon genes protein | | Authors: | Gao, P, Patel, D.J. | | Deposit date: | 2014-07-21 | | Release date: | 2014-09-10 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Binding-Pocket and Lid-Region Substitutions Render Human STING Sensitive to the Species-Specific Drug DMXAA.
Cell Rep, 8, 2014
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