2A88
 
 | | Crystal structure of A Pantothenate synthetase, apo enzyme in C2 space group | | Descriptor: | GLYCEROL, Pantoate--beta-alanine ligase, SULFATE ION | | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2005-07-07 | | Release date: | 2006-02-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
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2A7X
 | | Crystal Structure of A Pantothenate synthetase complexed with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, GLYCEROL, Pantoate-beta-alanine ligase, ... | | Authors: | Wang, S, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2005-07-06 | | Release date: | 2006-02-21 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of the Pantothenate Synthetase from Mycobacterium tuberculosis, Snapshots of the Enzyme in Action.
Biochemistry, 45, 2006
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2XMY
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | Descriptor: | 4-[4-(3,4-DIMETHYL-2-OXO-2,3-DIHYDRO-THIAZOL-5-YL)-PYRIMIDIN-2-YLAMINO]-N-(2-METHOXY-ETHYL)-BENZENESULFONAMIDE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | Deposit date: | 2010-07-29 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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2XNB
 | | Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents | | Descriptor: | 3,4-DIMETHYL-5-(2-{[(1Z)-4-PIPERAZIN-1-YLCYCLOHEXA-2,4-DIEN-1-YLIDENE]AMINO}PYRIMIDIN-4-YL)-1,3-THIAZOL-2(3H)-ONE, CELL DIVISION PROTEIN KINASE 2 | | Authors: | Wang, S, Griffiths, G, Midgley, C.A, Barnett, A.L, Cooper, M, Grabarek, J, Ingram, L, Jackson, W, Kontopidis, G, McClue, S.J, McInnes, C, McLachlan, J, Meades, C, Mezna, M, Stuart, I, Thomas, M.P, Zheleva, D.I, Lane, D.P, Jackson, R.C, Glover, D.M, Blake, D.G, Fischer, P.M. | | Deposit date: | 2010-08-01 | | Release date: | 2010-11-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and Characterisation of 2-Anilino-4-(Thiazol-5-Yl)Pyrimidine Transcriptional Cdk Inhibitors as Anticancer Agents
Chem.Biol., 17, 2010
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2FDO
 | | Crystal Structure of the Conserved Protein of Unknown Function AF2331 from Archaeoglobus fulgidus DSM 4304 Reveals a New Type of Alpha/Beta Fold | | Descriptor: | Hypothetical protein AF2331 | | Authors: | Wang, S, Kirillova, O, Chruszcz, M, Cymborowski, M.T, Skarina, T, Gorodichtchenskaia, E, Savchenko, A, Edwards, A.M, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-12-14 | | Release date: | 2006-01-31 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The crystal structure of the AF2331 protein from Archaeoglobus fulgidus DSM 4304 forms an unusual interdigitated dimer with a new type of alpha + beta fold.
Protein Sci., 18, 2009
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7XUG
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7XUI
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2L0O
 | | DsbB3 peptide structure in 100% TFE | | Descriptor: | Oxidoreductase that catalyzes reoxidation of DsbA protein disulfide isomerase I | | Authors: | Hwang, S, Hilty, C. | | Deposit date: | 2010-07-08 | | Release date: | 2011-03-09 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Folding determinants of disulfide bond forming protein B explored by solution nuclear magnetic resonance spectroscopy.
Proteins, 79, 2011
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2L0L
 | | DsbB2 peptide structure in 70% TFE | | Descriptor: | Oxidoreductase that catalyzes reoxidation of DsbA protein disulfide isomerase I | | Authors: | Hwang, S, Hilty, C. | | Deposit date: | 2010-07-08 | | Release date: | 2011-03-09 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Folding determinants of disulfide bond forming protein B explored by solution nuclear magnetic resonance spectroscopy.
Proteins, 79, 2011
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2L0M
 | | DsbB2 peptide structure in 100% TFE | | Descriptor: | Oxidoreductase that catalyzes reoxidation of DsbA protein disulfide isomerase I | | Authors: | Hwang, S, Hilty, C. | | Deposit date: | 2010-07-08 | | Release date: | 2011-03-09 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Folding determinants of disulfide bond forming protein B explored by solution nuclear magnetic resonance spectroscopy.
Proteins, 79, 2011
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2L0N
 | | DsbB3 peptide structure in 70% TFE | | Descriptor: | Oxidoreductase that catalyzes reoxidation of DsbA protein disulfide isomerase I | | Authors: | Hwang, S, Hilty, C. | | Deposit date: | 2010-07-08 | | Release date: | 2011-03-09 | | Last modified: | 2024-05-01 | | Method: | SOLUTION NMR | | Cite: | Folding determinants of disulfide bond forming protein B explored by solution nuclear magnetic resonance spectroscopy.
Proteins, 79, 2011
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6S0K
 | | Ribosome nascent chain in complex with SecA | | Descriptor: | 23S ribosomal RNA, 50S ribosomal protein L10, 50S ribosomal protein L11, ... | | Authors: | Jomaa, A, Wang, S, Shan, S, Ban, N. | | Deposit date: | 2019-06-17 | | Release date: | 2019-10-09 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | The molecular mechanism of cotranslational membrane protein recognition and targeting by SecA.
Nat.Struct.Mol.Biol., 26, 2019
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9BW1
 | | TnsABCD-DNA transpososome | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Integrase, LE_polyA, ... | | Authors: | Chang, L, Wang, S. | | Deposit date: | 2024-05-20 | | Release date: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Structure of TnsABCD transpososome reveals mechanisms of targeted DNA transposition.
Cell, 2024
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4WKN
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with methylthio-DADMe-Immucillin-A | | Descriptor: | (3R,4S)-1-[(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)METHYL]-4-[(METHYLSULFANYL)METHYL]PYRROLIDIN-3-OL, Aminodeoxyfutalosine nucleosidase | | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2014-10-02 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
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4WKO
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with hydroxybutylthio-DADMe-Immucillin-A | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-hydroxybutyl)sulfanyl]methyl}pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase | | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2014-10-02 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
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4WKP
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with 2-(2-hydroxyethoxy)ethylthiomethyl-DADMe-Immucillin-A | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-(2-{[2-(2-hydroxyethoxy)ethyl]sulfanyl}ethyl)pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, SULFATE ION | | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2014-10-02 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
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5WIU
 | | Structure of the human D4 Dopamine receptor in complex with Nemonapride | | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | | Deposit date: | 2017-07-20 | | Release date: | 2017-10-18 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.962 Å) | | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
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5WIV
 | | Structure of the sodium-bound human D4 Dopamine receptor in complex with Nemonapride | | Descriptor: | D(4) dopamine receptor, soluble cytochrome b562 chimera, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Wacker, D, Wang, S, Levit, A, Che, T, Betz, R.M, McCorvy, J.D, Venkatakrishnan, A.J, Huang, X.-P, Dror, R.O, Shoichet, B.K, Roth, B.L. | | Deposit date: | 2017-07-20 | | Release date: | 2017-10-18 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.143 Å) | | Cite: | D4 dopamine receptor high-resolution structures enable the discovery of selective agonists.
Science, 358, 2017
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6H1E
 | | Crystal structure of C21orf127-TRMT112 in complex with SAH and H4 peptide | | Descriptor: | HemK methyltransferase family member 2, Histone H4 peptide, Multifunctional methyltransferase subunit TRM112-like protein, ... | | Authors: | Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R. | | Deposit date: | 2018-07-11 | | Release date: | 2019-05-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
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6H1D
 | | Crystal structure of C21orf127-TRMT112 in complex with SAH | | Descriptor: | HemK methyltransferase family member 2, Multifunctional methyltransferase subunit TRM112-like protein, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Wang, S, Hermann, B, Metzger, E, Peng, L, Einsle, O, Schuele, R. | | Deposit date: | 2018-07-11 | | Release date: | 2019-05-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | KMT9 monomethylates histone H4 lysine 12 and controls proliferation of prostate cancer cells.
Nat.Struct.Mol.Biol., 26, 2019
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8FR6
 | | Antibody vFP53.02 in complex with HIV-1 envelope trimer BG505 DS-SOSIP | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ... | | Authors: | Wang, S, Kwong, P.D. | | Deposit date: | 2023-01-06 | | Release date: | 2023-04-19 | | Last modified: | 2023-06-07 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Diverse Murine Vaccinations Reveal Distinct Antibody Classes to Target Fusion Peptide and Variation in Peptide Length to Improve HIV Neutralization.
J.Virol., 97, 2023
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6QRI
 | | Structure of rabbit G-actin in complex with chivosazole A | | Descriptor: | (2~{R},3~{R},5~{S},6~{E},8~{E},10~{Z},12~{S},13~{R},16~{Z},18~{E},20~{Z},22~{E},24~{R},25~{S},26~{E},28~{Z})-13-[(2~{S},3~{S},5~{S})-3,5-bis(oxidanyl)hexan-2-yl]-25-[(2~{R},3~{R},4~{S},5~{R},6~{R})-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-3-methoxy-2,12,22,24-tetramethyl-5-oxidanyl-14,32-dioxa-33-azabicyclo[28.2.1]tritriaconta-1(33),6,8,10,16,18,20,22,26,28,30-undecaen-15-one, ADENOSINE-5'-TRIPHOSPHATE, Actin, ... | | Authors: | Schneider, S, Wang, S, Zahler, S. | | Deposit date: | 2019-02-19 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Chivosazole A Modulates Protein-Protein Interactions of Actin.
J.Nat.Prod., 82, 2019
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4YNB
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with pyrazinylthio-DADMe-Immucillin-A | | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2015-03-09 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
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4YO8
 | | Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)(hexyl)amino)methanol | | Descriptor: | Aminodeoxyfutalosine nucleosidase, ZINC ION, {[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol | | Authors: | Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L. | | Deposit date: | 2015-03-11 | | Release date: | 2015-11-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
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5U1A
 | | Ferritin with Gc MtrE loop 1 inserted at His34 | | Descriptor: | CHLORIDE ION, FE (III) ION, Ferritin,MtrE protein chimera, ... | | Authors: | Wang, S. | | Deposit date: | 2016-11-28 | | Release date: | 2017-10-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of ferritin nanoparticle immunogens displaying antigenic loops of Neisseria gonorrhoeae.
FEBS Open Bio, 7, 2017
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