7TVP
 
 | | Viral AMG chitosanase V-Csn, E157Q mutant, chitotriose complex | | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, GLYCEROL, Viral chitosanase V-Csn E157Q mutant chitotriose complex | | Authors: | Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase.
Nat Commun, 13, 2022
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7TVM
 | | Viral AMG chitosanase V-Csn, apo structure, crystal form 2 | | Descriptor: | 1,2-ETHANEDIOL, Viral chitosanase V-Csn | | Authors: | Smith, C.A, Wu, R, Buchko, G.W, Cort, J.R, Hofmockel, K.S, Jansson, J.K. | | Deposit date: | 2022-02-05 | | Release date: | 2022-10-05 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structural characterization of a soil viral auxiliary metabolic gene product - a functional chitosanase.
Nat Commun, 13, 2022
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7TZ1
 | | Crystal Structure of a Mycobacteriophage Cluster A2 Immunity Repressor:DNA Complex | | Descriptor: | DNA (5'-D(P*CP*CP*CP*GP*CP*TP*TP*GP*AP*CP*AP*GP*CP*CP*AP*CP*CP*GP*AP*AP*A)-3'), DNA (5'-D(P*TP*TP*TP*CP*GP*GP*TP*GP*GP*CP*TP*GP*TP*CP*AP*AP*GP*CP*GP*GP*G)-3'), Immunity repressor | | Authors: | McGinnis, R.J, Brambley, C.A, Stamey, B, Green, W.C, Gragg, K.N, Cafferty, E.R, Terwilliger, T.C, Hammel, M, Hollis, T.J, Miller, J.M, Gainey, M.D, Wallen, J.R. | | Deposit date: | 2022-02-15 | | Release date: | 2022-07-20 | | Last modified: | 2022-07-27 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | A monomeric mycobacteriophage immunity repressor utilizes two domains to recognize an asymmetric DNA sequence.
Nat Commun, 13, 2022
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1BLQ
 | | STRUCTURE AND INTERACTION SITE OF THE REGULATORY DOMAIN OF TROPONIN-C WHEN COMPLEXED WITH THE 96-148 REGION OF TROPONIN-I, NMR, 29 STRUCTURES | | Descriptor: | N-TROPONIN C | | Authors: | Mckay, R.T, Pearlstone, J.R, Corson, D.C, Gagne, S.M, Smillie, L.B, Sykes, B.D. | | Deposit date: | 1998-07-19 | | Release date: | 1999-01-13 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Structure and interaction site of the regulatory domain of troponin-C when complexed with the 96-148 region of troponin-I.
Biochemistry, 37, 1998
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1BKM
 | | COCRYSTAL STRUCTURE OF D-AMINO ACID SUBSTITUTED PHOSPHOPEPTIDE COMPLEX | | Descriptor: | PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN, [[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE | | Authors: | Holland, D.R, Rubin, J.R. | | Deposit date: | 1997-05-02 | | Release date: | 1997-07-07 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-Based Design of a Novel Series of Nonpeptide Ligands that Bind to the Pp60Src Sh2 Domain
J.Am.Chem.Soc., 119, 1997
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2J98
 | | Human coronavirus 229E non structural protein 9 cys69ala mutant (Nsp9) | | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, REPLICASE POLYPROTEIN 1AB | | Authors: | Ponnusamy, R, Mesters, J.R, Moll, R, Hilgenfeld, R. | | Deposit date: | 2006-11-03 | | Release date: | 2007-11-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Variable Oligomerization Modes in Coronavirus Non-Structural Protein 9.
J.Mol.Biol., 383, 2008
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2J97
 | | Human coronavirus 229E non structural protein 9 (Nsp9) | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, REPLICASE POLYPROTEIN 1AB, SULFATE ION | | Authors: | Ponnusamy, R, Mesters, J.R, Moll, R, Hilgenfeld, R. | | Deposit date: | 2006-11-03 | | Release date: | 2007-11-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Variable Oligomerization Modes in Coronavirus Non-Structural Protein 9.
J.Mol.Biol., 383, 2008
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3S1I
 | | Crystal structure of oxygen-bound hell's gate globin I | | Descriptor: | Hemoglobin-like flavoprotein, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Teh, A.H, Saito, J.A, Baharuddin, A, Tuckerman, J.R, Newhouse, J.S, Kanbe, M, Newhouse, E.I, Rahim, R.A, Favier, F, Didierjean, C, Sousa, E.H.S, Stott, M.B, Dunfield, P.F, Gonzalez, G, Gilles-Gonzalez, M.A, Najimudin, N, Alam, M. | | Deposit date: | 2011-05-15 | | Release date: | 2011-09-21 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Hell's Gate globin I: an acid and thermostable bacterial hemoglobin resembling mammalian neuroglobin
Febs Lett., 585, 2011
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3S3Z
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8UWU
 | | EmrE structure in the proton-bound state (WT/L51I heterodimer) | | Descriptor: | SMR family multidrug efflux protein EmrE | | Authors: | Li, J, Sae Her, A, Besch, A, Ramirez, B, Crames, M, Banigan, J.R, Mueller, C, Marsiglia, W.M, Zhang, Y, Traaseth, N.J. | | Deposit date: | 2023-11-08 | | Release date: | 2024-05-29 | | Last modified: | 2024-07-03 | | Method: | SOLID-STATE NMR, SOLUTION NMR | | Cite: | Dynamics underlie the drug recognition mechanism by the efflux transporter EmrE.
Nat Commun, 15, 2024
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2IRW
 | | Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Ether Inhibitor | | Descriptor: | (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Longenecker, K.L, Patel, J.R, Russell, J, Qin, W. | | Deposit date: | 2006-10-16 | | Release date: | 2007-01-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Discovery of adamantane ethers as inhibitors of 11beta-HSD-1: Synthesis and biological evaluation.
Bioorg.Med.Chem.Lett., 17, 2007
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2L8Q
 | | Solution Structure of a control DNA Duplex | | Descriptor: | DNA (5'-D(*CP*GP*CP*AP*TP*GP*CP*TP*AP*CP*GP*C)-3'), DNA (5'-D(*GP*CP*GP*TP*AP*GP*CP*AP*TP*GP*CP*G)-3') | | Authors: | Julien, O, Beadle, J.R, Magee, W.C, Chatterjee, S, Hostetler, K.Y, Evans, D.H, Sykes, B.D. | | Deposit date: | 2011-01-22 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a DNA duplex containing the potent anti-poxvirus agent cidofovir.
J.Am.Chem.Soc., 133, 2011
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8UVL
 | | Crystal structure of selective IRE1a inhibitor 29 at the enzyme active site | | Descriptor: | 1,2-ETHANEDIOL, 1-phenyl-N-(2,3,6-trifluoro-4-{[(3M)-3-(2-{[(3R,5R)-5-fluoropiperidin-3-yl]amino}pyrimidin-4-yl)pyridin-2-yl]oxy}phenyl)methanesulfonamide, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Kiefer, J.R, Wallweber, H.A, Braun, M.-G, Wei, W, Jiang, F, Wang, W, Rudolph, J, Ashkenazi, A. | | Deposit date: | 2023-11-03 | | Release date: | 2024-05-29 | | Last modified: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2.43 Å) | | Cite: | Discovery of Potent, Selective, and Orally Available IRE1 alpha Inhibitors Demonstrating Comparable PD Modulation to IRE1 Knockdown in a Multiple Myeloma Model.
J.Med.Chem., 67, 2024
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2L5N
 | | NMR Structure of YbbR family protein Dhaf_0833 (residues 32-118) from Desulfitobacterium hafniense DCB-2: Northeast Structural Genomics Consortium target DhR29B | | Descriptor: | YbbR family protein | | Authors: | Cort, J.R, Barb, A.W, Lee, H, Ramelot, T.A, Yang, Y, Belote, R.L, Ciccosanti, C.R, Haleema, J, Acton, T.B, Xiao, R.R, Everett, J.K, Montelione, G.T, Prestegard, J.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-11-02 | | Release date: | 2010-12-29 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Structures of domains I and IV from YbbR are representative of a widely distributed protein family.
Protein Sci., 20, 2011
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7R7P
 | | Immature HIV-1 CACTD-SP1 lattice with Bevirimat (BVM) and Inositol hexakisphosphate (IP6) | | Descriptor: | 3alpha-[(3-carboxy-3-methylbutanoyl)oxy]-8alpha,9beta,10alpha,13alpha,17alpha,19beta-lup-20(29)-en-28-oic acid, Gag polyprotein, INOSITOL HEXAKISPHOSPHATE | | Authors: | Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T. | | Deposit date: | 2021-06-25 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Structural basis of HIV-1 maturation inhibitor binding and activity.
Nat Commun, 14, 2023
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7R7Q
 | | Immature HIV-1 CACTD-SP1 lattice with Inositol hexakisphosphate (IP6) | | Descriptor: | Gag polyprotein, INOSITOL HEXAKISPHOSPHATE | | Authors: | Sarkar, S, Zadrozny, K.K, Zadorozhnyi, R, Russell, R.W, Quinn, C.M, Kleinpeter, A, Ablan, S, Meshkin, H, Perilla, J.R, Ganser-Pornillos, B.K, Pornillos, O, Freed, E.O, Gronenborn, A.M, Polenova, T. | | Deposit date: | 2021-06-25 | | Release date: | 2023-02-15 | | Last modified: | 2024-05-15 | | Method: | SOLID-STATE NMR | | Cite: | Structural basis of HIV-1 maturation inhibitor binding and activity.
Nat Commun, 14, 2023
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2FYE
 | | Mutant Human Cathepsin S with irreversible inhibitor CRA-14013 | | Descriptor: | N-[(1R)-1-[({[(5S)-3,5-DIMETHYL-2,5-DIHYDROISOXAZOL-4-YL]METHYL}SULFONYL)METHYL]-2-OXO-2-({(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}AMINO)ETHYL]MORPHOLINE-4-CARBOXAMIDE, cathepsin S preproprotein | | Authors: | Somoza, J.R. | | Deposit date: | 2006-02-07 | | Release date: | 2006-08-08 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mutant Human Cathepsin S with irreversible inhibitor CRA-14013
To be Published
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3ROL
 | | Murine class I major histocompatibility complex H-2Kb in complex with post-translationally modified LCMV-derived gp34-41 peptide, comprising a nitrotyrosine at position 3 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | | Authors: | Madhurantakam, C, Duru, A.D, Leong, C, Sandalova, T, Webb, J.R, Achour, A. | | Deposit date: | 2011-04-26 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Nitro-tyrosination of the immunodominant LCMV epitope gp34-41 alters both its capacity to stabilize H-2Kb and the molecular surface of the MHC complex, affecting TCR recognition
PLoS ONE, 2012
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3RPX
 | | Crystal structure of complement component 1, q subcomponent binding protein, C1QBP | | Descriptor: | Complement component 1 Q subcomponent-binding protein, UNKNOWN ATOM OR ION | | Authors: | Tempel, W, Tong, Y, Crombet, L, Shen, Y, Guan, X, Nedyalkova, L, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-04-27 | | Release date: | 2011-05-11 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Crystal structure of complement component 1, q subcomponent binding protein, C1QBP
to be published
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3R2D
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2L86
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2FQ9
 | | Cathepsin S with nitrile inhibitor | | Descriptor: | N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETHYL]-L-ALANINAMIDE, cathepsin S | | Authors: | Somoza, J.R. | | Deposit date: | 2006-01-17 | | Release date: | 2006-03-21 | | Last modified: | 2019-07-24 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Cathepsin S with nitrile inhibitor
To be Published
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2FRA
 | | Human Cathepsin S with CRA-27934, a Nitrile Inhibitor | | Descriptor: | N-[1-(AMINOMETHYL)CYCLOPROPYL]-3-(BENZYLSULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHYL]-L-ALANINAMIDE, cathepsin S | | Authors: | Somoza, J.R. | | Deposit date: | 2006-01-19 | | Release date: | 2006-07-25 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Human Cathepsin S with CRA-27934, a Nitrile Inhibitor
To be Published
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7LNI
 | | SeMet CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | | Authors: | Horton, J.R, Cheng, X, Zhou, J. | | Deposit date: | 2021-02-07 | | Release date: | 2021-05-19 | | Last modified: | 2021-07-14 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Clostridioides difficile specific DNA adenine methyltransferase CamA squeezes and flips adenine out of DNA helix.
Nat Commun, 12, 2021
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2FVT
 | | NMR Structure of the Rpa2829 protein from Rhodopseudomonas palustris: Northeast Structural Genomics Target RpR43 | | Descriptor: | conserved hypothetical protein | | Authors: | Cort, J.R, Ho, C.K, Cunningham, K, Ma, L.C, Conover, K, Xiao, R, Montelione, G.T, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-01-31 | | Release date: | 2006-02-14 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | NMR Structure of the Rpa2829 protein from Rhodopseudomonas palustris
To be Published
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