4M8N
 
 | | Crystal Structure of PlexinC1/Rap1B Complex | | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Pascoe, H.G, Wang, Y, Brautigam, C.A, He, H, Zhang, X. | | Deposit date: | 2013-08-13 | | Release date: | 2013-10-09 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.294 Å) | | Cite: | Structural basis for activation and non-canonical catalysis of the Rap GTPase activating protein domain of plexin.
Elife, 2, 2013
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5F0A
 | | CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine INHIBITOR | | Descriptor: | 1-tert-butyl-3-(3-chlorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, cGMP-dependent protein kinase, putative | | Authors: | Walker, J.R, Wernimont, A.K, He, H, Seitova, A, Loppnau, P, Sibley, L.D, Graslund, S, Hutchinson, A, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Hui, R, El Bakkouri, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-11-27 | | Release date: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | CRYSTAL STRUCTURE OF PVX_084705 WITH BOUND INHIBITOR
To be published
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5FET
 | | Crystal Structure of PVX_084705 in presence of Compound 2 | | Descriptor: | 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine, cGMP-dependent protein kinase, putative | | Authors: | Wernimont, A.K, Tempel, W, Walker, J.R, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-17 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (3.07 Å) | | Cite: | Crystal Structure of PVX_084705 in presence of Compound 2
To be published
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1X70
 | | HUMAN DIPEPTIDYL PEPTIDASE IV IN COMPLEX WITH A BETA AMINO ACID INHIBITOR | | Descriptor: | (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kim, D, Wang, L, Beconi, M, Eiermann, G.J, Fisher, M.H, He, H, Hickey, G.J, Leiting, B, Lyons, K. | | Deposit date: | 2004-08-12 | | Release date: | 2005-01-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | (2R)-4-Oxo-4-[3-(Trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin- 7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine: A Potent, Orally Active Dipeptidyl Peptidase IV Inhibitor for the Treatment of Type 2 Diabetes
J.Med.Chem., 48, 2005
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6MKM
 | | Crystallographic solvent mapping analysis of DMSO/Tris bound to APE1 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DIMETHYL SULFOXIDE, ... | | Authors: | Georgiadis, M.M, He, H, Chen, Q. | | Deposit date: | 2018-09-25 | | Release date: | 2019-01-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.673 Å) | | Cite: | Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
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6MK3
 | | Crystallographic solvent mapping analysis of DMSO bound to APE1 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase | | Authors: | Georgiadis, M.M, He, H, Chen, Q. | | Deposit date: | 2018-09-24 | | Release date: | 2019-01-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.478 Å) | | Cite: | Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
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6MKO
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6MKK
 | | Crystallographic solvent mapping analysis of DMSO/Mg bound to APE1 | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, DNA-(apurinic or apyrimidinic site) lyase, ... | | Authors: | Georgiadis, M.M, He, H, Chen, Q. | | Deposit date: | 2018-09-25 | | Release date: | 2019-01-30 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.442 Å) | | Cite: | Discovery of Macrocyclic Inhibitors of Apurinic/Apyrimidinic Endonuclease 1.
J. Med. Chem., 62, 2019
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6OL2
 | | Crystallography of novel WNK1 and WNK3 inhibitors discovered from high-throughput-screening | | Descriptor: | ACETATE ION, GLYCEROL, N-[2-(5,8-dimethoxy-2-oxo-1,2-dihydroquinolin-3-yl)ethyl]-2-iodobenzamide, ... | | Authors: | Chlebowicz, J, Akella, R, Sekulski, K, Humphreys, J.M, Durbacz, M.Z, He, H, Rodan, A, Posner, B, Goldsmith, E.J. | | Deposit date: | 2019-04-15 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallography of novel WNK1 and WNK3 inhibitors discovered from high throughput screening
To Be Published
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6W26
 | | Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and Imidazole | | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, IMIDAZOLE, ... | | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | | Deposit date: | 2020-03-05 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases.
Nat Commun, 11, 2020
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6VYD
 | | Terpenoid Cyclase FgGS in Complex with Mg, Inorganic Pyrophosphate, and Benzyltriethylammonium cation | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Herbst-Gervasoni, C.J, Christianson, D.W. | | Deposit date: | 2020-02-26 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Discovery of the cryptic function of terpene cyclases as aromatic prenyltransferases.
Nat Commun, 11, 2020
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5Y27
 | | Crystal structure of Se-Met Dpb4-Dpb3 | | Descriptor: | DNA polymerase epsilon subunit D, GLYCEROL, Putative transcription factor C16C4.22 | | Authors: | Li, Y, Gao, F, Su, M, Zhang, F.B, Chen, Y.H. | | Deposit date: | 2017-07-24 | | Release date: | 2018-01-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Coordinated regulation of heterochromatin inheritance by Dpb3-Dpb4 complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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5Y26
 | | Crystal structure of native Dpb4-Dpb3 | | Descriptor: | DNA polymerase epsilon subunit D, GLYCEROL, Putative transcription factor C16C4.22 | | Authors: | Chen, Y.H, Li, Y, Gao, F. | | Deposit date: | 2017-07-24 | | Release date: | 2018-01-24 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.003 Å) | | Cite: | Coordinated regulation of heterochromatin inheritance by Dpb3-Dpb4 complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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7SUK
 | | Structure of Bfr2-Lcp5 Complex Observed in the Small Subunit Processome Isolated from R2TP-depleted Yeast Cells | | Descriptor: | 18S pre-rRNA, 40S ribosomal protein S11-A, 40S ribosomal protein S13, ... | | Authors: | Rai, J, Zhao, Y, Li, H. | | Deposit date: | 2021-11-17 | | Release date: | 2022-07-06 | | Last modified: | 2023-08-16 | | Method: | ELECTRON MICROSCOPY (3.99 Å) | | Cite: | Artificial intelligence-assisted cryoEM structure of Bfr2-Lcp5 complex observed in the yeast small subunit processome.
Commun Biol, 5, 2022
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6XN4
 | | Structure of the Lactococcus lactis Csm CTR_3:2 CRISPR-Cas Complex | | Descriptor: | CRISPR-associated protein Cas10, CRISPR-associated protein Csm2, CRISPR-associated protein Csm3, ... | | Authors: | Rai, J, Sridhara, S, Li, H. | | Deposit date: | 2020-07-02 | | Release date: | 2022-01-12 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structural and biochemical characterization of in vivo assembled Lactococcus lactis CRISPR-Csm complex.
Commun Biol, 5, 2022
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6XN5
 | | Structure of the Lactococcus lactis Csm Apo- CRISPR-Cas Complex | | Descriptor: | CRISPR-associated protein Cas10, CRISPR-associated protein Csm3, CRISPR-associated protein Csm4, ... | | Authors: | Rai, J, Sridhara, S, Li, H. | | Deposit date: | 2020-07-02 | | Release date: | 2022-01-12 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (2.97 Å) | | Cite: | Structural and biochemical characterization of in vivo assembled Lactococcus lactis CRISPR-Csm complex.
Commun Biol, 5, 2022
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6XN7
 | | Structure of the Lactococcus lactis Csm NTR CRISPR-Cas Complex | | Descriptor: | CRISPR-associated protein Cas10, CRISPR-associated protein Csm2, CRISPR-associated protein Csm3, ... | | Authors: | Rai, J, Sridhara, S, Li, H. | | Deposit date: | 2020-07-02 | | Release date: | 2022-01-12 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3.47 Å) | | Cite: | Structural and biochemical characterization of in vivo assembled Lactococcus lactis CRISPR-Csm complex.
Commun Biol, 5, 2022
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6XN3
 | | Structure of the Lactococcus lactis Csm CTR_4:3 CRISPR-Cas Complex | | Descriptor: | CRISPR-associated protein Cas10, CRISPR-associated protein Csm2, CRISPR-associated protein Csm3, ... | | Authors: | Rai, J, Sridhara, S, Li, H. | | Deposit date: | 2020-07-02 | | Release date: | 2022-01-12 | | Last modified: | 2022-04-13 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural and biochemical characterization of in vivo assembled Lactococcus lactis CRISPR-Csm complex.
Commun Biol, 5, 2022
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8X2J
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7CR5
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8F1G
 | | Crystal structure of human WDR5 in complex with compound WM662 | | Descriptor: | (2S)-2-({(2S)-3-(3'-chloro[1,1'-biphenyl]-4-yl)-1-oxo-1-[(1H-tetrazol-5-yl)amino]propan-2-yl}oxy)propanoic acid, GLYCEROL, SULFATE ION, ... | | Authors: | Liu, H. | | Deposit date: | 2022-11-05 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Discovery of Potent Small-Molecule Inhibitors of WDR5-MYC Interaction.
Acs Chem.Biol., 18, 2023
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2FJP
 | | Human dipeptidyl peptidase IV/CD26 in complex with an inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM, ... | | Authors: | Scapin, G, Patel, S.B, Becker, J.W. | | Deposit date: | 2006-01-03 | | Release date: | 2006-07-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | (2S,3S)-3-Amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-[1,2,4]triazolo[1,5-a]- pyridin-6-ylphenyl)butanamide: a selective alpha-amino amide dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes.
J.Med.Chem., 49, 2006
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4FLB
 | | CID of human RPRD2 | | Descriptor: | PRASEODYMIUM ION, Regulation of nuclear pre-mRNA domain-containing protein 2, SULFATE ION, ... | | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-06-14 | | Release date: | 2012-08-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.802 Å) | | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.
Nat.Struct.Mol.Biol., 21, 2014
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4FLA
 | | Crystal structure of human RPRD1B, carboxy-terminal domain | | Descriptor: | Regulation of nuclear pre-mRNA domain-containing protein 1B, UNKNOWN ATOM OR ION | | Authors: | Ni, Z, Xu, C, Tempel, W, El Bakkouri, M, Loppnau, P, Guo, X, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Greenblatt, J.F, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-06-14 | | Release date: | 2012-08-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | RPRD1A and RPRD1B are human RNA polymerase II C-terminal domain scaffolds for Ser5 dephosphorylation.
Nat.Struct.Mol.Biol., 21, 2014
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3UR4
 | | Crystal structure of human WD repeat domain 5 with compound | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ... | | Authors: | Dong, A, Dombrovski, L, Senisterra, G, Wernimont, A, Wasney, G.A, Allali Hassani, A, Nguyen, K.T, Smil, D, Bolshan, Y, Hajian, T, Poda, G, Chau, I, Al-Awar, R, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P, Schapira, M, Vedadi, M, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-11-21 | | Release date: | 2011-12-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Small-molecule inhibition of MLL activity by disruption of its interaction with WDR5.
Biochem. J., 449, 2013
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