1OB6
 
 | | Cephaibol B | | Descriptor: | ACETATE ION, CEPHAIBOL B, ETHANOL | | Authors: | Bunkoczi, G, Schiell, M, Vertesy, L, Sheldrick, G.M. | | Deposit date: | 2003-01-24 | | Release date: | 2003-12-11 | | Last modified: | 2019-05-22 | | Method: | X-RAY DIFFRACTION (0.89 Å) | | Cite: | Crystal Structures of Cephaibols
J.Pept.Sci., 9, 2003
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5UTU
 | | 2.65 Angstrom Resolution Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with SAH and NAD | | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, ADENOSINE, Adenosylhomocysteinase, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Stam, J, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-15 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | 2.65 Angstrom Resolution Crystal Structure of S-adenosylhomocysteinase from Cryptosporidium parvum in Complex with SAH and NAD
To Be Published
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4DHO
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | (2-{2-[(3-methoxyphenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 protein sigma, CHLORIDE ION, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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1KJS
 | | NMR SOLUTION STRUCTURE OF C5A AT PH 5.2, 303K, 20 STRUCTURES | | Descriptor: | C5A | | Authors: | Zhang, X, Boyar, W, Toth, M, Wennogle, L, Gonnella, N.C. | | Deposit date: | 1997-01-09 | | Release date: | 1997-05-15 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | Structural definition of the C5a C terminus by two-dimensional nuclear magnetic resonance spectroscopy.
Proteins, 28, 1997
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4DHU
 | | Small-molecule inhibitors of 14-3-3 protein-protein interactions from virtual screening | | Descriptor: | (2-{2-[(2,3-dichlorophenyl)amino]-2-oxoethoxy}phenyl)phosphonic acid, 14-3-3 PROTEIN SIGMA, CHLORIDE ION, ... | | Authors: | Thiel, P, Roeglin, L, Kohlbacher, O, Ottmann, C. | | Deposit date: | 2012-01-30 | | Release date: | 2013-07-31 | | Last modified: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Virtual screening and experimental validation reveal novel small-molecule inhibitors of 14-3-3 protein-protein interactions.
Chem.Commun.(Camb.), 49, 2013
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7R81
 | | Structure of the translating Neurospora crassa ribosome arrested by cycloheximide | | Descriptor: | 18S rRNA, 26S rRNA, 4-{(2R)-2-[(1S,3S,5S)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl}piperidine-2,6-dione, ... | | Authors: | Shen, L, Su, Z, Yang, K, Wu, C, Becker, T, Bell-Pedersen, D, Zhang, J, Sachs, M.S. | | Deposit date: | 2021-06-25 | | Release date: | 2021-12-01 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure of the translating Neurospora ribosome arrested by cycloheximide
Proc.Natl.Acad.Sci.USA, 118, 2021
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5UM6
 | | Crystal Structure of S. pombe Uba1 in a closed conformation | | Descriptor: | 2-(decylamino)ethane-1-thiol, N-(2-{[(4-chlorophenyl)methyl]disulfanyl}ethyl)decan-1-amine, SULFATE ION, ... | | Authors: | Lv, Z, Yuan, L, Aldana-Masangkay, G, Atkison, J.H, Chen, Y, Olsen, S.K. | | Deposit date: | 2017-01-26 | | Release date: | 2017-06-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.794 Å) | | Cite: | Domain alternation and active site remodeling are conserved structural features of ubiquitin E1.
J. Biol. Chem., 292, 2017
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5UQG
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p200 | | Descriptor: | 1,2-ETHANEDIOL, 3-(2-{[(4-chlorophenyl)carbamoyl]amino}propan-2-yl)-N-hydroxybenzene-1-carboximidamide, INOSINIC ACID, ... | | Authors: | Kim, Y, Maltseva, N, Makowska-Grzyska, M, Gu, M, Gollapalli, D, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-02-08 | | Release date: | 2017-03-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Campylobacter jejuni in the complex with inhibitor p200
To Be Published
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7RLO
 | | Structure of the human eukaryotic translation initiation factor 2B (eIF2B) in complex with a viral protein NSs | | Descriptor: | Non-structural protein NS-S, Translation initiation factor eIF-2B subunit alpha, Translation initiation factor eIF-2B subunit beta, ... | | Authors: | Wang, L, Schoof, M, Cogan, J, Lawrence, R, Boone, M, Wuerth, J, Frost, M, Walter, P. | | Deposit date: | 2021-07-26 | | Release date: | 2021-12-22 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Viral evasion of the integrated stress response through antagonism of eIF2-P binding to eIF2B.
Nat Commun, 12, 2021
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1OEX
 | | Atomic Resolution Structure of Endothiapepsin in Complex with a Hydroxyethylene Transition State Analogue Inhibitor H261 | | Descriptor: | ENDOTHIAPEPSIN, GLYCEROL, INHIBITOR H261, ... | | Authors: | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B. | | Deposit date: | 2003-03-31 | | Release date: | 2003-04-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides
Protein Sci., 12, 2003
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1OEW
 | | ATOMIC RESOLUTION STRUCTURE OF NATIVE ENDOTHIAPEPSIN | | Descriptor: | ENDOTHIAPEPSIN, GLYCEROL, SERINE, ... | | Authors: | Coates, L, Erskine, P.T, Mall, S, Gill, R.S, Wood, S.P, Myles, D.A.A, Cooper, J.B. | | Deposit date: | 2003-03-31 | | Release date: | 2003-04-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (0.9 Å) | | Cite: | Atomic Resolution Analysis of the Catalytic Site of an Aspartic Proteinase and an Unexpected Mode of Binding by Short Peptides
Protein Sci., 12, 2003
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1KNT
 | | THE 1.6 ANGSTROMS STRUCTURE OF THE KUNITZ-TYPE DOMAIN FROM THE ALPHA3 CHAIN OF THE HUMAN TYPE VI COLLAGEN | | Descriptor: | COLLAGEN TYPE VI, SULFATE ION | | Authors: | Arnoux, B, Merigeau, K, Saludjian, P, Norris, F, Norris, K, Bjorn, S, Olsen, O, Petersen, L, Ducruix, A. | | Deposit date: | 1994-08-18 | | Release date: | 1994-11-01 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The 1.6 A structure of Kunitz-type domain from the alpha 3 chain of human type VI collagen.
J.Mol.Biol., 246, 1995
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7R9W
 | | LC3A in complex with Fragment 1-1 | | Descriptor: | 4-phenoxybenzoic acid, GLYCEROL, Microtubule-associated proteins 1A/1B light chain 3A | | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | | Deposit date: | 2021-06-29 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
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5UXF
 | | Crystal Structure of mouse RECON (AKR1C13) in complex with Cyclic di-AMP | | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, Dihydrodiol dehydrogenase | | Authors: | Luo, S, Tong, L. | | Deposit date: | 2017-02-22 | | Release date: | 2017-04-19 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Sensing of Bacterial Cyclic Dinucleotides by the Oxidoreductase RECON Promotes NF-kappa B Activation and Shapes a Proinflammatory Antibacterial State.
Immunity, 46, 2017
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7R9Z
 | | LC3A in complex with Fragment 2-3 | | Descriptor: | (5-fluoro-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A | | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | | Deposit date: | 2021-06-29 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
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4NGY
 | | Dialyzed HEW lysozyme batch crystallized in 0.75 M YbCl3 and collected at 100 K | | Descriptor: | CHLORIDE ION, Lysozyme C, YTTERBIUM (III) ION | | Authors: | Benas, P, Legrand, L, Ries-Kautt, M. | | Deposit date: | 2013-11-03 | | Release date: | 2014-05-28 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry.
Acta Crystallogr.,Sect.D, 70, 2014
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7RA0
 | | LC3A in complex with Fragment 2-10 | | Descriptor: | (5-ethyl-2-methyl-1H-indol-3-yl)acetic acid, Microtubule-associated proteins 1A/1B light chain 3A | | Authors: | Rouge, L, Steffek, M, Helgason, E, Dueber, E, Mulvihill, M. | | Deposit date: | 2021-06-29 | | Release date: | 2022-01-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | A Multifaceted Hit-Finding Approach Reveals Novel LC3 Family Ligands.
Biochemistry, 62, 2023
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1L2O
 | | SCALLOP MYOSIN S1-ADP-p-PDM IN THE ACTIN-DETACHED CONFORMATION | | Descriptor: | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID, ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, ... | | Authors: | Himmel, M, Gourinath, S, Reshetnikova, L, Shen, Y, Szent-Gyorgyi, G, Cohen, C. | | Deposit date: | 2002-02-22 | | Release date: | 2002-10-30 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystallographic findings on the internally uncoupled and near-rigor states of myosin: further insights into the mechanics of the motor.
Proc.Natl.Acad.Sci.USA, 99, 2002
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5V36
 | | 1.88 Angstrom Resolution Crystal Structure of Glutathione Reductase from Streptococcus mutans UA159 in Complex with FAD | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | | Authors: | Minasov, G, Shuvalova, L, Dubrovska, I, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-03-06 | | Release date: | 2017-03-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | 1.88 Angstrom Resolution Crystal Structure of Glutathione Reductase from Streptococcus mutans UA159 in Complex with FAD.
To Be Published
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5V0M
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7RR3
 | | Structure of Deep-Sea Phage NrS-1 Primase-Polymerase N300 in complex with calcium and ddCTP | | Descriptor: | 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, CALCIUM ION, Primase | | Authors: | Wang, L, Yu, C, Sliz, P. | | Deposit date: | 2021-08-09 | | Release date: | 2022-01-12 | | Last modified: | 2022-01-19 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Molecular Dissection of the Primase and Polymerase Activities of Deep-Sea Phage NrS-1 Primase-Polymerase.
Front Microbiol, 12, 2021
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5UID
 | | The crystal structure of an aminotransferase TlmJ from Streptoalloteichus hindustanus | | Descriptor: | Aminotransferase TlmJ, PYRIDOXAL-5'-PHOSPHATE, SULFATE ION | | Authors: | Tan, K, Bigelow, L, Bearden, J, Phillips Jr, G.N, Joachmiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2017-01-13 | | Release date: | 2017-02-01 | | Last modified: | 2020-01-01 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | The crystal structure of an aminotransferase TlmJ from Streptoalloteichus hindustanus.
To Be Published
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7RR4
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5ULI
 | | Crystal Structure of mouse DXO in complex with (3'-NADP)+ and calcium ion | | Descriptor: | CALCIUM ION, Decapping and exoribonuclease protein, [[(2R,3S,4R,5R)-5-(3-aminocarbonyl-4H-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate | | Authors: | Doamekpor, S.K, Tong, L. | | Deposit date: | 2017-01-24 | | Release date: | 2017-05-17 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | 5' End Nicotinamide Adenine Dinucleotide Cap in Human Cells Promotes RNA Decay through DXO-Mediated deNADding.
Cell, 168, 2017
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1LK0
 | | Disulfide intermediate of C89L Arsenate reductase from pI258 | | Descriptor: | CHLORIDE ION, POTASSIUM ION, arsenate reductase | | Authors: | Messens, J, Martins, J.C, Van Belle, K, Brosens, E, Desmyter, A, De Gieter, M, Wieruszeski, J.M, Willem, R, Wyns, L, Zegers, I. | | Deposit date: | 2002-04-23 | | Release date: | 2002-08-07 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | All intermediates of the arsenate reductase mechanism, including an intramolecular dynamic disulfide cascade.
Proc.Natl.Acad.Sci.USA, 99, 2002
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