4LO1
 
 | | HA17-HA33-Gal | | Descriptor: | HA-17, HA-33, beta-D-galactopyranose | | Authors: | Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R. | | Deposit date: | 2013-07-12 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.254 Å) | | Cite: | Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
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5AI4
 | | ligand complex structure of soluble epoxide hydrolase | | Descriptor: | 2-[(5-BROMO-2-PYRIDYL)-METHYL-AMINO]ETHANOL, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DIMETHYL SULFOXIDE, ... | | Authors: | Oster, L, Tapani, S, Xue, Y, Kack, H. | | Deposit date: | 2015-02-12 | | Release date: | 2015-05-13 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
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2W49
 | | ISOMETRICALLY CONTRACTING INSECT ASYNCHRONOUS FLIGHT MUSCLE | | Descriptor: | ACTIN, ALPHA SKELETAL MUSCLE, CALCIUM ION, ... | | Authors: | Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A. | | Deposit date: | 2008-11-24 | | Release date: | 2010-05-05 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (35 Å) | | Cite: | Electron Tomography of Cryofixed, Isometrically Contracting Insect Flight Muscle Reveals Novel Actin-Myosin Interactions
Plos One, 5, 2010
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3GGJ
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4FN3
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4ZXU
 | | 2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289 | | Descriptor: | Betaine-aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION | | Authors: | Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2015-05-20 | | Release date: | 2015-06-17 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | 2.85 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) H448F/P449M double mutant from Staphylococcus aureus in complex with NAD+ and BME-free Cys289.
To be Published
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1MZA
 | | crystal structure of human pro-granzyme K | | Descriptor: | pro-granzyme K | | Authors: | Hink-Schauer, C, Estebanez-Perpina, E, Wilharm, E, Fuentes-Prior, P, Klinkert, W, Bode, W, Jenne, D.E. | | Deposit date: | 2002-10-07 | | Release date: | 2003-01-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | The 2.2-A Crystal Structure of Human Pro-granzyme K Reveals a Rigid Zymogen with Unusual Features
J.BIOL.CHEM., 277, 2002
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1N3I
 | | Crystal Structure of Mycobacterium tuberculosis PNP with transition state analog DADMe-ImmH | | Descriptor: | 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one, PHOSPHATE ION, Purine Nucleoside Phosphorylase | | Authors: | Lewandowicz, A, Shi, W, Evans, G.B, Tyler, P.C, Furneaux, R.H, Basso, L.A, Santos, D.S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2002-10-28 | | Release date: | 2003-09-30 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Over-The-Barrier Transition State Analogues Provide New Chemistries for Inhibitor Design: The Case of Purine Nucleoside Phosphorylase
BIOCHEMISTRY, 42, 2003
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2VR1
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4FNH
 | | Crystal structure of IsdI-W66Y in complex with heme | | Descriptor: | Heme-degrading monooxygenase isdI, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Ukpabi, G.N, Murphy, M.E.P. | | Deposit date: | 2012-06-19 | | Release date: | 2012-08-22 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Inactivation of the heme degrading enzyme IsdI by an active site substitution that diminishes heme ruffling.
J.Biol.Chem., 287, 2012
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5AHI
 | | Crystal structure of salmonalla enterica HisA mutant D7N with ProFAR | | Descriptor: | 1-(5-PHOSPHORIBOSYL)-5-[(5-PHOSPHORIBOSYLAMINO) METHYLIDENE AMINO] IMIDAZOLE-4-CARBOXAMIDE ISOMERASE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Soderholm, A, Guo, X, Newton, M.S, Evans, G.B, Nasvall, J, Patrick, W.M, Selmer, M. | | Deposit date: | 2015-02-06 | | Release date: | 2016-03-02 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.999 Å) | | Cite: | Structure and Mechanism of Hisa from Salmonella Enterica
To be Published
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7JOQ
 | | Structure of NV1 small terminase | | Descriptor: | Small Terminase subunit | | Authors: | Cingolani, G, Lokareddy, R. | | Deposit date: | 2020-08-07 | | Release date: | 2020-11-11 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.95 Å) | | Cite: | Biophysical analysis of Pseudomonas-phage PaP3 small terminase suggests a mechanism for sequence-specific DNA-binding by lateral interdigitation.
Nucleic Acids Res., 48, 2020
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2VSE
 | | Structure and mode of action of a mosquitocidal holotoxin | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, MOSQUITOCIDAL TOXIN | | Authors: | Treiber, N, Reinert, D.J, Carpusca, I, Aktories, K, Schulz, G.E. | | Deposit date: | 2008-04-22 | | Release date: | 2008-07-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure and Mode of Action of a Mosquitocidal Holotoxin.
J.Mol.Biol., 381, 2008
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7JL3
 | | Cryo-EM structure of RIG-I:dsRNA filament in complex with RIPLET PrySpry domain (trimer) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Antiviral innate immune response receptor RIG-I, E3 ubiquitin-protein ligase RNF135, ... | | Authors: | Kato, K, Ahmad, S, Hur, S. | | Deposit date: | 2020-07-29 | | Release date: | 2020-12-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structural analysis of RIG-I-like receptors reveals ancient rules of engagement between diverse RNA helicases and TRIM ubiquitin ligases.
Mol.Cell, 81, 2021
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4LOM
 | | Crystal Structure of Mycobacterium tuberculosis HisB in complex with its substrate | | Descriptor: | (2R,3S)-2,3-dihydroxy-3-(1H-imidazol-5-yl)propyl dihydrogen phosphate, Imidazoleglycerol-phosphate dehydratase, MANGANESE (II) ION | | Authors: | Ahangar, M.S, Vyas, R, Nasir, N, Biswal, B.K. | | Deposit date: | 2013-07-13 | | Release date: | 2013-08-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of the native, substrate-
bound and inhibited forms of Mycobacterium tuberculosis imidazole glycerol phosphate dehydratase
Acta Crystallogr.,Sect.D, 2013
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8WXB
 | | Cryo-EM structure of the alpha-carboxysome shell vertex from Prochlorococcus MED4 | | Descriptor: | Carboxysome assembly protein CsoS2, Carboxysome shell vertex protein CsoS4A, Major carboxysome shell protein CsoS1 | | Authors: | Jiang, Y.L, Zhou, R.Q, Zhou, C.Z, Zeng, Q.L. | | Deposit date: | 2023-10-28 | | Release date: | 2024-01-31 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (4.2 Å) | | Cite: | Structure and assembly of the alpha-carboxysome in the marine cyanobacterium Prochlorococcus.
Nat.Plants, 10, 2024
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4LOY
 | | Crystal Structure Analysis of thrombin in complex with compound D57, 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2- oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1- yl)-3-oxopropyl]amide (SAR107375) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, Hirudin variant-2, ... | | Authors: | Stehlin-Gaon, C, Bocskei, Z. | | Deposit date: | 2013-07-14 | | Release date: | 2014-06-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | 5-Chlorothiophene-2-carboxylic acid [(S)-2-[2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonylamino]-3-(4-methylpiperazin-1-yl)-3-oxopropyl]amide (SAR107375), a selective and potent orally active dual thrombin and factor Xa inhibitor.
J.Med.Chem., 56, 2013
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2VZA
 | | Type IV secretion system effector protein BepA | | Descriptor: | CELL FILAMENTATION PROTEIN, SULFATE ION | | Authors: | Meury, M, Schirmer, T. | | Deposit date: | 2008-07-31 | | Release date: | 2009-11-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Fic Domain Catalyzed Adenylylation: Insight Provided by the Structural Analysis of the Type Iv Secretion System Effector Bepa.
Protein Sci., 20, 2011
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7JMD
 | | Sheep Connexin-46 at 2.5 angstroms resolution, Lipid Class 1 | | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, Gap junction alpha-3 protein | | Authors: | Flores, J.A, Haddad, B.G, Dolan, K.A, Myers, J.B, Yoshioka, C.C, Copperman, J, Zuckerman, D.M, Reichow, S.L. | | Deposit date: | 2020-07-31 | | Release date: | 2020-09-09 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Connexin-46/50 in a dynamic lipid environment resolved by CryoEM at 1.9 angstrom.
Nat Commun, 11, 2020
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2W0H
 | | X ray structure of Leishmania infantum Trypanothione reductase in complex with antimony and NADPH | | Descriptor: | ANTIMONY (III) ION, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Baiocco, P, Colotti, G, Franceschini, S, Ilari, A. | | Deposit date: | 2008-08-18 | | Release date: | 2009-04-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Molecular Basis of Antimony Treatment in Leishmaniasis.
J.Med.Chem., 52, 2009
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2VUE
 | | Human serum albumin complexed with 4Z,15E-bilirubin-IX-alpha | | Descriptor: | BILIVERDINE IX ALPHA, SERUM ALBUMIN | | Authors: | Zunszain, P.A, Ghuman, J, Curry, S. | | Deposit date: | 2008-05-24 | | Release date: | 2008-06-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.42 Å) | | Cite: | Crystallographic Analysis of Human Serum Albumin Complexed with 4Z,15E-Bilirubin-Ixalpha.
J.Mol.Biol., 381, 2008
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7QAC
 | | The T2 structure of polycrystalline cubic human insulin | | Descriptor: | Insulin A chain, Insulin B chain | | Authors: | Karavassili, F, Triandafillidis, D.P, Valmas, A, Spiliopoulou, M, Fili, S, Kontou, P, Bowler, M.W, Von Dreele, R.B, Fitch, A, Margiolaki, I. | | Deposit date: | 2021-11-16 | | Release date: | 2023-06-21 | | Last modified: | 2024-02-07 | | Method: | POWDER DIFFRACTION (2.29 Å) | | Cite: | The T 2 structure of polycrystalline cubic human insulin.
Acta Crystallogr D Struct Biol, 79, 2023
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5GS0
 | | Crystal structure of the complex of TLR3 and bi-specific diabody | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Toll-like receptor 3, alpha-D-mannopyranose, ... | | Authors: | Kim, J.H, Song, D.H, Youn, S.J, Kim, J.W, Cho, G, Lee, H, Lee, J.O. | | Deposit date: | 2016-08-13 | | Release date: | 2016-10-12 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.275 Å) | | Cite: | Crystal structure of mono- and bi-specific diabodies and reduction of their structural flexibility by introduction of disulfide bridges at the Fv interface.
Sci Rep, 6, 2016
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3B9O
 | | long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN | | Descriptor: | Alkane monooxygenase, FLAVIN MONONUCLEOTIDE | | Authors: | Li, L, Yang, W, Xu, F, Bartlam, M, Rao, Z. | | Deposit date: | 2007-11-06 | | Release date: | 2008-01-15 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of long-chain alkane monooxygenase (LadA) in complex with coenzyme FMN: unveiling the long-chain alkane hydroxylase
J.Mol.Biol., 376, 2008
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5AGK
 | | Structure of rat neuronal nitric oxide synthase heme domain in complex with (2S)-2-Amino-5-(2-(methylsulfinyl)acetimidamido) pentanoic acid | | Descriptor: | (2S)-2-AMINO-5-(2-(METHYLSULFINYL)ACETIMIDAMIDO)PENTANOIC ACID, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Li, H, Poulos, T.L. | | Deposit date: | 2015-02-02 | | Release date: | 2015-04-29 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(Methylthio)Acetimidamido)Pentanoic Acid.
J.Am.Chem.Soc., 137, 2015
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