1L0O
 
 | | Crystal Structure of the Bacillus stearothermophilus Anti-Sigma Factor SpoIIAB with the Sporulation Sigma Factor SigmaF | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Anti-sigma F factor, MAGNESIUM ION, ... | | Authors: | Campbell, E.A, Masuda, S, Sun, J.L, Muzzin, O, Olson, C.A, Wang, S, Darst, S.A. | | Deposit date: | 2002-02-12 | | Release date: | 2002-04-03 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of the Bacillus stearothermophilus anti-sigma factor SpoIIAB with the sporulation sigma factor sigmaF.
Cell(Cambridge,Mass.), 108, 2002
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2GCX
 | | Solution Structure of Ferrous Iron Transport Protein A (FeoA) of Klebsiella pneumoniae | | Descriptor: | Ferrous iron transport protein A | | Authors: | Hung, K.-W, Cheng, C.-C, Yu, T.-H, Wang, S.-H, Chang, C.-F, Tsai, S.-F, Huang, T.-H. | | Deposit date: | 2006-03-14 | | Release date: | 2007-03-20 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of Ferrous Iron Transport Protein A (FeoA) of Klebsiella pneumoniae
To be Published
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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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6NVB
 | | Crystal structure of the inhibitor-free form of the serine protease kallikrein-4 | | Descriptor: | GLYCEROL, Kallikrein-4, SULFATE ION | | Authors: | Riley, B.T, Buckle, A.M, McGowan, S. | | Deposit date: | 2019-02-04 | | Release date: | 2019-07-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.636 Å) | | Cite: | Crystal structure of the inhibitor-free form of the serine protease kallikrein-4.
Acta Crystallogr.,Sect.F, 75, 2019
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4U3H
 | | Crystal structure of FN3con | | Descriptor: | FN3con | | Authors: | Porebski, B.T, McGowan, S, Buckle, A.M. | | Deposit date: | 2014-07-21 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural and dynamic properties that govern the stability of an engineered fibronectin type III domain.
Protein Eng.Des.Sel., 28, 2015
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4GMB
 | | Crystal structure of human WD repeat domain 5 with compound MM-402 | | Descriptor: | MM-402, WD repeat-containing protein 5 | | Authors: | Karatas, H, Townsend, E.C, Chen, Y, Bernard, D, Cao, F, Liu, L, Lei, M, Dou, Y, Wang, S. | | Deposit date: | 2012-08-15 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.781 Å) | | Cite: | Discovery of a Highly Potent, Cell-Permeable Macrocyclic Peptidomimetic (MM-589) Targeting the WD Repeat Domain 5 Protein (WDR5)-Mixed Lineage Leukemia (MLL) Protein-Protein Interaction.
J.Med.Chem., 60, 2017
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8T7P
 | | X-ray crystal structure of PfA-M1(M462S) | | Descriptor: | Aminopeptidase N, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Yang, W, Drinkwater, N, Webb, C.T, McGowan, S. | | Deposit date: | 2023-06-21 | | Release date: | 2024-06-26 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Conformational dynamics of the Plasmodium falciparum M1 aminopeptidase.
To Be Published
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8T83
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3OSF
 | | The structure of protozoan parasite Trichomonas vaginalis Myb2 in complex with MRE-2f-13 DNA | | Descriptor: | 5'-D(*CP*AP*AP*GP*AP*CP*GP*AP*TP*AP*CP*AP*G)-3', 5'-D(*CP*TP*GP*TP*AP*TP*CP*GP*TP*CP*TP*TP*G)-3', ISOPROPYL ALCOHOL, ... | | Authors: | Jiang, I, Tsai, C.K, Chen, S.C, Wang, S.H, Amiraslanov, I, Chang, C.F, Wu, W.J, Tai, J.H, Liaw, Y.C, Huang, T.H. | | Deposit date: | 2010-09-09 | | Release date: | 2011-08-03 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.032 Å) | | Cite: | Molecular basis of the recognition of the ap65-1 gene transcription promoter elements by a Myb protein from the protozoan parasite Trichomonas vaginalis.
Nucleic Acids Res., 39, 2011
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5ZBR
 | | Crystal Structure of Kinesin-3 KIF13B motor domain in AMPPNP form | | Descriptor: | Kinesin family member 13B, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Ren, J.Q, Wang, S, Feng, W. | | Deposit date: | 2018-02-12 | | Release date: | 2018-05-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Delineation of the Neck Linker of Kinesin-3 for Processive Movement.
J. Mol. Biol., 430, 2018
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7Y1B
 | | 3.2 angstrom cryo-EM structure of extracellular region of mouse Basigin-2 in complex with the Fab fragment of antibody 6E7F1 | | Descriptor: | Heavy chain of 6E7F1, Isoform 2 of Basigin, Light chain of 6E7F1 | | Authors: | Zhang, H, Yang, X, Xue, Y, Huang, Y, Mo, X, Zhang, H, Li, N, Gao, N, Li, X, Wang, S, Gao, Y, Liao, J. | | Deposit date: | 2022-06-08 | | Release date: | 2023-06-14 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.23 Å) | | Cite: | Allosteric modulation of monocarboxylate transporters 1 and 4 by targeting their chaperon Basigin
To Be Published
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5HL4
 | | Acoustic injectors for drop-on-demand serial femtosecond crystallography | | Descriptor: | COBALT HEXAMMINE(III), FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Roessler, C.G, Agarwal, R, Allaire, M, Alonso-Mori, R, Andi, B, Bachega, J.F.R, Bommer, M, Brewster, A.S, Browne, M.C, Chatterjee, R, Cho, E, Cohen, A.E, Cowan, M, Datwani, S, Davidson, V.L, Defever, J, Eaton, B, Ellson, R, Feng, Y, Ghislain, L.P, Glownia, J.M, Han, G, Hattne, J, Hellmich, J, Heroux, A, Ibrahim, M, Kern, J, Kuczewski, A, Lemke, H.T, Liu, P, Majlof, L, McClintock, W.M, Myers, S, Nelsen, S, Olechno, J, Orville, A.M, Sauter, N.K, Soares, A.S, Soltis, M.S, Song, H, Stearns, R.G, Tran, R, Tsai, Y, Uervirojnangkoorn, M, Wilmot, C.M, Yachandra, V, Yano, J, Yukl, E.T, Zhu, D, Zouni, A. | | Deposit date: | 2016-01-14 | | Release date: | 2016-01-27 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Acoustic Injectors for Drop-On-Demand Serial Femtosecond Crystallography.
Structure, 24, 2016
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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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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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3OH6
 | | AlkA Undamaged DNA Complex: Interrogation of a C:G base pair | | Descriptor: | 5'-D(*GP*AP*CP*AP*(BRU)P*GP*AP*AP*(BRU)P*GP*CP*C)-3', 5'-D(*GP*CP*AP*TP*TP*CP*AP*TP*GP*TP*C)-3', DNA-3-methyladenine glycosylase 2 | | Authors: | Bowman, B.R, Lee, S, Wang, S, Verdine, G.L. | | Deposit date: | 2010-08-17 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.894 Å) | | Cite: | Structure of Escherichia coli AlkA in Complex with Undamaged DNA.
J.Biol.Chem., 285, 2010
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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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3OH9
 | | AlkA Undamaged DNA Complex: Interrogation of a T:A base pair | | Descriptor: | 5'-D(*AP*CP*AP*(BRU)P*GP*AP*AP*(BRU)P*GP*CP*C)-3', 5'-D(*GP*GP*CP*AP*TP*TP*CP*AP*TP*GP*T)-3', DNA-3-methyladenine glycosylase 2 | | Authors: | Bowman, B.R, Lee, S, Wang, S, Verdine, G.L. | | Deposit date: | 2010-08-17 | | Release date: | 2010-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.802 Å) | | Cite: | Structure of Escherichia coli AlkA in Complex with Undamaged DNA.
J.Biol.Chem., 285, 2010
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3T96
 | | Iodowillardiine bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 | | Descriptor: | 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, Glutamate receptor 2, ZINC ION | | Authors: | Ahmed, A.H, Wang, S, Chuang, H.H, Oswald, R.E. | | Deposit date: | 2011-08-02 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.872 Å) | | Cite: | Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS.
J.Biol.Chem., 286, 2011
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3T9H
 | | Kainate bound to a double cysteine mutant (A452C/S652C) of the ligand binding domain of GluA2 | | Descriptor: | 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Glutamate receptor 2, ZINC ION | | Authors: | Ahmed, A.H, Wang, S, Chuang, H.H, Oswald, R.E. | | Deposit date: | 2011-08-02 | | Release date: | 2011-08-17 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.015 Å) | | Cite: | Mechanism of AMPA Receptor Activation by Partial Agonists: DISULFIDE TRAPPING OF CLOSED LOBE CONFORMATIONS.
J.Biol.Chem., 286, 2011
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6B73
 | | Crystal Structure of a nanobody-stabilized active state of the kappa-opioid receptor | | Descriptor: | CHOLESTEROL, N-[(5alpha,6beta)-17-(cyclopropylmethyl)-3-hydroxy-7,8-didehydro-4,5-epoxymorphinan-6-yl]-3-iodobenzamide, Nanobody, ... | | Authors: | Che, T, Majumdar, S, Zaidi, S.A, Kormos, C, McCorvy, J.D, Wang, S, Mosier, P.D, Uprety, R, Vardy, E, Krumm, B.E, Han, G.W, Lee, M.Y, Pardon, E, Steyaert, J, Huang, X.P, Strachan, R.T, Tribo, A.R, Pasternak, G.W, Carroll, I.F, Stevens, R.C, Cherezov, V, Katritch, V, Wacker, D, Roth, B.L. | | Deposit date: | 2017-10-03 | | Release date: | 2018-01-17 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of the Nanobody-Stabilized Active State of the Kappa Opioid Receptor.
Cell, 172, 2018
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8EX3
 | | Plasmodium falciparum M1 in complex with inhibitor 9aa | | Descriptor: | GLYCEROL, M1 family aminopeptidase, MAGNESIUM ION, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-24 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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8EYD
 | | Plasmodium falciparum M1 in complex with inhibitor 15ah | | Descriptor: | GLYCEROL, M1 family aminopeptidase, N-[(1R)-1-(4-bromophenyl)-2-(hydroxyamino)-2-oxoethyl]-N~2~-(4-fluorophenyl)glycinamide, ... | | Authors: | Calic, P.P.S, McGowan, S, Webb, C.T. | | Deposit date: | 2022-10-26 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Structure-based development of potent Plasmodium falciparum M1 and M17 aminopeptidase selective and dual inhibitors via S1'-region optimisation.
Eur.J.Med.Chem., 248, 2022
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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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8UXT
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8UY4
 | | Acinetobacter baumannii Tse15 Rhs effector | | Descriptor: | Tse15, Tse15 toxin peptide (polyUNK) | | Authors: | Hayes, B.K, Venugopal, H, McGowan, S. | | Deposit date: | 2023-11-13 | | Release date: | 2024-10-09 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.08 Å) | | Cite: | Structure of a Rhs effector clade domain provides mechanistic insights into type VI secretion system toxin delivery.
Nat Commun, 15, 2024
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