3QFI
 
 | | X-ray crystal structure of transcriptional regulator (EF0465) from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR190 | | Descriptor: | Transcriptional regulator | | Authors: | Forouhar, F, Neely, H, Seetharaman, J, Wang, H, Ciccosanti, C, Mao, L, Acton, T.B, Xiao, R, Everett, J.K, Montelione, G.T, Tong, L, Hun, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2011-01-21 | | Release date: | 2011-03-02 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.71 Å) | | Cite: | X-ray crystal structure of transcriptional regulator (EF0465) from Enterococcus faecalis, Northeast Structural Genomics Consortium Target EfR190
To be Published
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4PY9
 | | Crystal structure of an exopolyphosphatase-related protein from Bacteroides Fragilis. Northeast Structural Genomics target BFR192 | | Descriptor: | PHOSPHATE ION, Putative exopolyphosphatase-related protein, SODIUM ION | | Authors: | Seetharaman, J, Abashidze, M, Wang, H, Janjua, H, Foote, E.L, Xiao, R, Nair, R, Everett, J.K, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2014-03-26 | | Release date: | 2014-06-25 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal structure of an exopolyphosphatase-related protein from Bacteroides Fragilis. Northeast Structural Genomics target BFR192
To be Published
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6KH4
 | | Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | | Descriptor: | FE (III) ION, Ferritin, NICKEL (II) ION | | Authors: | Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G. | | Deposit date: | 2019-07-12 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.302 Å) | | Cite: | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
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3QWE
 | | Crystal structure of the N-terminal domain of the GEM interacting protein | | Descriptor: | GEM-interacting protein, UNKNOWN ATOM OR ION | | Authors: | Guan, X, Tempel, W, Tong, Y, Shen, L, Wang, H, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-02-28 | | Release date: | 2011-03-23 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure of the N-terminal domain of the GEM interacting protein
to be published
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6JAS
 | | Human serum transferrin with iron citrate bound | | Descriptor: | CITRIC ACID, FE (III) ION, MALONATE ION, ... | | Authors: | Wang, M, Wang, H, Sun, H. | | Deposit date: | 2019-01-25 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.501 Å) | | Cite: | Binding of ruthenium and osmium at non-iron sites of transferrin explains their iron-independent cellular uptake
To Be Published
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6KH3
 | | Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | | Descriptor: | FE (III) ION, Ferritin, NICKEL (II) ION | | Authors: | Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G. | | Deposit date: | 2019-07-12 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
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6KH5
 | | Design and crystal structure of protein MOFs with ferritin nanocages as linkers and nickel clusters as nodes | | Descriptor: | FE (III) ION, Ferritin, NICKEL (II) ION | | Authors: | Gu, C, Chen, H, Wang, Y, Zhang, T, Wang, H, Zhao, G. | | Deposit date: | 2019-07-12 | | Release date: | 2020-01-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.294 Å) | | Cite: | Structural Insight into Binary Protein Metal-Organic Frameworks with Ferritin Nanocages as Linkers and Nickel Clusters as Nodes.
Chemistry, 26, 2020
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3UDM
 | | Crystal Structure of BACE with Compound 8 | | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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3UDH
 | | Crystal Structure of BACE with Compound 1 | | Descriptor: | (3S)-spiro[indole-3,3'-pyrrolidin]-2(1H)-one, 1,2-ETHANEDIOL, Beta-secretase 1, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2017-11-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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3UDQ
 | | Crystal Structure of BACE with Compound 13 | | Descriptor: | (4S)-6-bromo-1,1-dioxido-3,4-dihydro-2H-thiochromen-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1 | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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2LG3
 | | Structure of the duplex containing HNE derived (6S,8R,11S) gamma-HO-PdG when placed opposite dT | | Descriptor: | (4S)-nonane-1,4-diol, DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') | | Authors: | Huang, H, Wang, H, Kozekova, A, Lloyd, R.S, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2011-07-19 | | Release date: | 2012-08-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Ring-chain tautomerization of trans-4-hydroxynonenal derived (6S,8R,11S) gamma-hydroxy-1,N2-propano-deoxyguanosine adduct when placed opposite 2'-deoxythymidine in duplex
To be Published
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4C65
 | | Crystal structure of A. niger ochratoxinase | | Descriptor: | OCHRATOXINASE | | Authors: | Dobritzsch, D, Wang, H, Schneider, G, Yu, S. | | Deposit date: | 2013-09-17 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural and Functional Characterization of Ochratoxinase, a Novel Mycotoxin Degrading Enzyme.
Biochem.J., 462, 2014
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4C5Z
 | | Crystal structure of A. niger ochratoxinase | | Descriptor: | OCHRATOXINASE | | Authors: | Dobritzsch, D, Wang, H, Schneider, G, Yu, S. | | Deposit date: | 2013-09-17 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Functional Characterization of Ochratoxinase, a Novel Mycotoxin Degrading Enzyme.
Biochem.J., 462, 2014
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4C5Y
 | | Crystal structure of A. niger ochratoxinase | | Descriptor: | OCHRATOXINASE, ZINC ION | | Authors: | Dobritzsch, D, Wang, H, Schneider, G, Yu, S. | | Deposit date: | 2013-09-17 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Structural and Functional Characterization of Ochratoxinase, a Novel Mycotoxin Degrading Enzyme.
Biochem.J., 462, 2014
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2L7K
 | | Solution NMR Structure of protein CD1104.2 from Clostridium difficile, Northeast Structural Genomics Consortium Target CfR130 | | Descriptor: | Uncharacterized protein | | Authors: | Pulavarti, S.V.S.R.K, Eletsky, A, Mills, J.L, Sukumaran, D.K, Wang, H, Ciccosanti, C, Janjua, H, Acton, T.B, Xiao, R, Everett, J.K, Lee, H, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2010-12-13 | | Release date: | 2011-02-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Solution NMR Structure of CfR130 from Clostridium difficile, Northeast Structural Genomics Consortium Target CfR130
To be Published
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2LG2
 | | Structure of the duplex containing HNE derived (6S,8R,11S) N2-dG cyclic hemiacetal when placed opposite dT | | Descriptor: | (2R,5S)-5-pentyltetrahydrofuran-2-ol, DNA (5'-D(*GP*CP*TP*AP*GP*CP*GP*AP*GP*TP*CP*C)-3'), DNA (5'-D(*GP*GP*AP*CP*TP*TP*GP*CP*TP*AP*GP*C)-3') | | Authors: | Huang, H, Wang, H, Kozekova, A, Lloyd, R.S, Rizzo, C.J, Stone, M.P. | | Deposit date: | 2011-07-19 | | Release date: | 2012-08-01 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | Ring-chain tautomerization of trans-4-hydroxynonenal derived (6S,8R,11S) gamma-hydroxy-1,N2-propano-deoxyguanosine adduct when placed opposite 2'-deoxythymidine in duplex
To be Published
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2HD1
 | | Crystal structure of PDE9 in complex with IBMX | | Descriptor: | 3-ISOBUTYL-1-METHYLXANTHINE, MAGNESIUM ION, Phosphodiesterase 9A, ... | | Authors: | Huai, Q, Wang, H, Zhang, W, Colman, R.W, Robinson, H, Ke, H. | | Deposit date: | 2006-06-19 | | Release date: | 2006-06-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Crystal structure of phosphodiesterase 9 shows orientation variation of inhibitor IBMX binding
Proc.Natl.Acad.Sci.USA, 101, 2004
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4NFD
 | | Structure of PILR L108W mutant in complex with sialic acid | | Descriptor: | N-acetyl-alpha-neuraminic acid, Paired immunoglobulin-like type 2 receptor beta | | Authors: | Lu, Q, Lu, G, Qi, J, Li, Y, Zhang, Y, Wang, H, Fan, Z, Yan, J, Gao, G.F. | | Deposit date: | 2013-10-31 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.708 Å) | | Cite: | PILR alpha and PILR beta have a siglec fold and provide the basis of binding to sialic acid
Proc.Natl.Acad.Sci.USA, 111, 2014
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4NFC
 | | Structure of paired immunoglobulin-like type 2 receptor (PILR ) | | Descriptor: | Paired immunoglobulin-like type 2 receptor beta | | Authors: | Lu, Q, Lu, G, Qi, J, Li, Y, Zhang, Y, Wang, H, Fan, Z, Yan, J, Gao, G.F. | | Deposit date: | 2013-10-31 | | Release date: | 2014-05-28 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | PILR alpha and PILR beta have a siglec fold and provide the basis of binding to sialic acid
Proc.Natl.Acad.Sci.USA, 111, 2014
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8HJE
 | | Vismodegib binds to the catalytical domain of human Ubiquitin-Specific Protease 28 | | Descriptor: | 2-chloranyl-~{N}-(4-chloranyl-3-pyridin-2-yl-phenyl)-4-methylsulfonyl-benzamide, Ubiquitin carboxyl-terminal hydrolase 28 | | Authors: | Shi, L, Wang, H, Xu, Z, Xiong, B, Zhang, N. | | Deposit date: | 2022-11-23 | | Release date: | 2023-05-03 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Structure-based discovery of potent USP28 inhibitors derived from Vismodegib.
Eur.J.Med.Chem., 254, 2023
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3UDJ
 | | Crystal Structure of BACE with Compound 5 | | Descriptor: | 1,2-ETHANEDIOL, Beta-secretase 1, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2013-06-19 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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3UDR
 | | Crystal Structure of BACE with Compound 14 | | Descriptor: | 1,2-ETHANEDIOL, 1-cyanocyclohexyl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate, Beta-secretase 1, ... | | Authors: | Efremov, I.V, Vajdos, F.F, Borzilleri, K, Capetta, S, Dorff, P, Dutra, J, Mansour, M, Oborski, C, O'Connell, T, O'Sullivan, T.J, Pandit, J, Wang, H, Withka, J. | | Deposit date: | 2011-10-28 | | Release date: | 2012-04-18 | | Last modified: | 2018-04-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Discovery and optimization of a novel spiropyrrolidine inhibitor of {beta}-secretase (BACE1) through fragment-based drug design.
J.Med.Chem., 55, 2012
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4E2P
 | | Crystal Structure of a Post-tailoring Hydroxylase (HmtN) Involved in the Himastatin Biosynthesis | | Descriptor: | Cytochrome P450 107B1 (P450CVIIB1), MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Zhang, H.D, Chen, J, Wang, H, Huang, L, Zhang, H.J. | | Deposit date: | 2012-03-09 | | Release date: | 2013-03-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | Crystal Structure of a Post-tailoring Hydroxylase (HmtN) Involved in the Himastatin Biosynthesis
To be Published
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4C60
 | | Crystal structure of A. niger ochratoxinase | | Descriptor: | OCHRATOXINASE | | Authors: | Dobritzsch, D, Wang, H, Schneider, G, Yu, S. | | Deposit date: | 2013-09-17 | | Release date: | 2014-07-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural and Functional Characterization of Ochratoxinase, a Novel Mycotoxin Degrading Enzyme.
Biochem.J., 462, 2014
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1LP9
 | | Xenoreactive complex AHIII 12.2 TCR bound to p1049/HLA-A2.1 | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, A-2 alpha chain, ... | | Authors: | Buslepp, J, Wang, H, Biddison, W.E, Appella, E, Collins, E.J. | | Deposit date: | 2002-05-07 | | Release date: | 2003-11-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A correlation between TCR Valpha docking on MHC and CD8 dependence: implications for T cell selection.
Immunity, 19, 2003
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