3BWI
 
 | | Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with an acetate ion bound at the active site | | Descriptor: | ACETATE ION, Botulinum neurotoxin A light chain, SULFATE ION, ... | | Authors: | Kumaran, D, Rawat, R, Swaminathan, S. | | Deposit date: | 2008-01-09 | | Release date: | 2008-04-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure- and Substrate-based Inhibitor Design for Clostridium botulinum Neurotoxin Serotype A
J.Biol.Chem., 283, 2008
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3C88
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3BT3
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3C8B
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3C89
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3CIH
 | | Crystal structure of a putative alpha-rhamnosidase from Bacteroides thetaiotaomicron | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Putative alpha-rhamnosidase | | Authors: | Kumaran, D, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2008-03-11 | | Release date: | 2008-04-01 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.33 Å) | | Cite: | Crystal structure of a putative alpha-rhamnosidase from Bacteroides thetaiotaomicron.
To be Published
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3CLK
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3CO4
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2F4N
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8GOD
 | | Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589 | | Descriptor: | Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone | | Authors: | Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N. | | Deposit date: | 2022-08-24 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.
Sci Rep, 13, 2023
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7TLT
 | | SARS-CoV-2 Spike-derived peptide S489-497 (YFPLQSYGF) presented by HLA-A*29:02 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ... | | Authors: | Murdolo, L.D, Szeto, C, Gras, S. | | Deposit date: | 2022-01-18 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ablation of CD8 + T cell recognition of an immunodominant epitope in SARS-CoV-2 Omicron variants BA.1, BA.2 and BA.3.
Nat Commun, 13, 2022
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3TGY
 | | Crystal structure of the complex of Bovine Lactoperoxidase with Ascorbic acid at 2.35 A resolution | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Yamini, S, Singh, R.P, Singh, A.K, Pandey, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2011-08-18 | | Release date: | 2011-09-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution.
Biochim.Biophys.Acta, 1865, 2017
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1AXV
 | | SOLUTION NMR STRUCTURE OF THE [BP]DA ADDUCT OPPOSITE DT IN A DNA DUPLEX, 6 STRUCTURES | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(CTCTC-[BP]A-CTTCC)D(GGAAGTGAGAG) | | Authors: | Mao, B, Gu, Z, Gorin, A.A, Chen, J, Hingerty, B.E, Amid, S, Broyde, S, Geacintov, N.E, Patel, D.J. | | Deposit date: | 1997-10-21 | | Release date: | 1998-07-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the (+)-cis-anti-benzo[a]pyrene-dA ([BP]dA) adduct opposite dT in a DNA duplex.
Biochemistry, 38, 1999
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3UIL
 | | Crystal Structure of the complex of PGRP-S with lauric acid at 2.2 A resolution | | Descriptor: | GLYCEROL, LAURIC ACID, Peptidoglycan recognition protein 1 | | Authors: | Dube, D, Sharma, P, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2011-11-05 | | Release date: | 2012-07-11 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis of the binding of fatty acids to peptidoglycan recognition protein, PGRP-S through second binding site
Arch.Biochem.Biophys., 529, 2013
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7SSC
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7XU8
 | | Structure of the complex of camel peptidoglycan recognition protein-short (PGRP-S) with heptanoic acid at 2.15 A resolution. | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CARBONATE ION, ... | | Authors: | Maurya, A, Ahmad, N, Viswanathan, V, Singh, P.K, Yamini, S, Sharma, P, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2022-05-18 | | Release date: | 2022-06-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Ligand recognition by peptidoglycan recognition protein-S (PGRP-S): structure of the complex of camel PGRP-S with heptanoic acid at 2.15 angstrom resolution.
Int J Biochem Mol Biol, 13, 2022
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1PVD
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1PYD
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3JTY
 | | Crystal structure of a BenF-like porin from Pseudomonas fluorescens Pf-5 | | Descriptor: | BenF-like porin, LAURYL DIMETHYLAMINE-N-OXIDE | | Authors: | Sampathkumar, P, Lu, F, Zhao, X, Wasserman, S, Iuzuka, M, Bain, K, Rutter, M, Gheyi, T, Atwell, S, Luz, J, Gilmore, J, Sauder, J.M, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2009-09-14 | | Release date: | 2009-10-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Structure of a putative BenF-like porin from Pseudomonas fluorescens Pf-5 at 2.6 A resolution.
Proteins, 78, 2010
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5LG9
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2NM1
 | | Structure of BoNT/B in complex with its protein receptor | | Descriptor: | Botulinum neurotoxin type B, Synaptotagmin-2 | | Authors: | Jin, R, Rummel, A, Binz, T, Brunger, A.T. | | Deposit date: | 2006-10-20 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Botulinum neurotoxin B recognizes its protein receptor with high affinity and specificity.
Nature, 444, 2006
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2HHL
 | | Crystal structure of the human small CTD phosphatase 3 isoform 1 | | Descriptor: | 12-TUNGSTOPHOSPHATE, CTD small phosphatase-like protein | | Authors: | Malashkevich, V.N, Toro, R, Ramagopal, U, Sauder, J.M, Schwinn, K.D, Thompson, D.A, Rutter, M.E, Dickey, M, Groshong, C, Bain, K.T, Adams, J.M, Reyes, C, Rooney, I, Powell, A, Boice, A, Gheyi, T, Ozyurt, S, Atwell, S, Wasserman, S.R, Emtage, S, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-06-28 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
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2I1Y
 | | Crystal structure of the phosphatase domain of human PTP IA-2 | | Descriptor: | GLYCEROL, Receptor-type tyrosine-protein phosphatase | | Authors: | Faber-Barata, J, Patskovsky, Y, Alvarado, J, Smith, D, Koss, J, Wasserman, S.R, Ozyurt, S, Atwell, S, Powell, A, Kearins, M.C, Maletic, M, Rooney, I, Bain, K.T, Freeman, M, Russell, J.C, Thompson, D.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-08-15 | | Release date: | 2006-08-29 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Structural genomics of protein phosphatases
J.STRUCT.FUNCT.GENOM., 8, 2007
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2IRM
 | | Crystal structure of mitogen-activated protein kinase kinase kinase 7 interacting protein 1 from Anopheles gambiae | | Descriptor: | mitogen-activated protein kinase kinase kinase 7 interacting protein 1 | | Authors: | Jin, X, Bonanno, J.B, Pelletier, L, Freeman, J.C, Wasserman, S, Sauder, J.M, Burley, S.K, Shapiro, L, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-10-15 | | Release date: | 2006-11-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural genomics of protein phosphatases.
J.STRUCT.FUNCT.GENOM., 8, 2007
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2IQ1
 | | Crystal structure of human PPM1K | | Descriptor: | MAGNESIUM ION, Protein phosphatase 2C kappa, PPM1K | | Authors: | Bonanno, J.B, Freeman, J, Russell, M, Bain, K.T, Adams, J, Pelletier, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2006-10-12 | | Release date: | 2006-11-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural genomics of protein phosphatases
J.STRUCT.FUNCT.GENOM., 8, 2007
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