6LOI
 
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6LB0
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9BKM
 | | DHODH in complex with Ligand 10 | | Descriptor: | (2M,6P)-2-(2-chloro-6-fluorophenyl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 2024
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9BKN
 | | DHODH in complex with Ligand 16 | | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-(propan-2-yl)isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 2024
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9BKO
 | | DHODH in complex with Ligand 26 | | Descriptor: | (2P,6P)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-7-fluoro-2-(2-methylphenyl)-4-[(2R)-1,1,1-trifluoropropan-2-yl]isoquinolin-1(2H)-one, ACETATE ION, CHLORIDE ION, ... | | Authors: | Shaffer, P.L. | | Deposit date: | 2024-04-29 | | Release date: | 2024-07-03 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Discovery of JNJ-74856665: A Novel Isoquinolinone DHODH Inhibitor for the Treatment of AML.
J.Med.Chem., 2024
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7DEO
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Spike protein S1, ... | | Authors: | Fu, D, Zhang, G, Li, X, Rao, Z, Guo, Y. | | Deposit date: | 2020-11-04 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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7DET
 | | Crystal structure of SARS-CoV-2 RBD in complex with a neutralizing antibody scFv | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody scFv | | Authors: | Wang, Y, Zhang, G, Li, X, Rao, Z, Guo, Y. | | Deposit date: | 2020-11-05 | | Release date: | 2021-03-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural basis for SARS-CoV-2 neutralizing antibodies with novel binding epitopes.
Plos Biol., 19, 2021
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8TS0
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8URF
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7D3Y
 | | Crystal structure of the osPHR2-osSPX2 complex | | Descriptor: | INOSITOL HEXAKISPHOSPHATE, Protein PHOSPHATE STARVATION RESPONSE 2, SPX domain-containing protein 2,Isoform 1 of Core histone macro-H2A.1 | | Authors: | Zhang, Q.X, Guan, Z.Y, Zuo, J.Q, Zhang, Z.F, Liu, Z. | | Deposit date: | 2020-09-21 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.11 Å) | | Cite: | Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
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6M1J
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x | | Descriptor: | 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2020-02-26 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
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7D3T
 | | Crystal structure of OSPHR2 in complex with DNA | | Descriptor: | DNA (5'-D(P*CP*TP*CP*GP*GP*AP*TP*AP*TP*CP*CP*TP*CP*AP*AP*G)-3'), DNA (5'-D(P*GP*CP*TP*TP*GP*AP*GP*GP*AP*TP*AP*TP*CP*CP*GP*A)-3'), Protein PHOSPHATE STARVATION RESPONSE 2 | | Authors: | Guan, Z.Y, Zhang, Z.F, Liu, Z. | | Deposit date: | 2020-09-20 | | Release date: | 2021-10-06 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Mechanistic insights into the regulation of plant phosphate homeostasis by the rice SPX2 - PHR2 complex.
Nat Commun, 13, 2022
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6M1S
 | | The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o | | Descriptor: | 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ... | | Authors: | Xu, Z.H, Zhou, Z. | | Deposit date: | 2020-02-26 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.254 Å) | | Cite: | Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
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7ARM
 | | LolCDE in complex with lipoprotein and LolA | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ... | | Authors: | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Shen, C.R, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Wei, X.W, Dong, C.J, Zhang, X, Dong, H.H. | | Deposit date: | 2020-10-25 | | Release date: | 2021-04-07 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
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7ARL
 | | LolCDE in complex with lipoprotein and ADP | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, ADENOSINE-5'-DIPHOSPHATE, LPP, ... | | Authors: | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Shen, C.R, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Wei, X.W, Dong, C.J, Zhang, X, Dong, H.H. | | Deposit date: | 2020-10-25 | | Release date: | 2021-04-07 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
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7ARK
 | | LolCDE in complex with AMP-PNP in the closed NBD state | | Descriptor: | Lipoprotein-releasing ABC transporter permease subunit LolC, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolE, ... | | Authors: | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | | Deposit date: | 2020-10-25 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
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7ARJ
 | | LolCDE in complex with lipoprotein and AMPPNP complex undimerized form | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ... | | Authors: | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | | Deposit date: | 2020-10-25 | | Release date: | 2021-04-07 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
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7ARI
 | | LolCDE apo structure | | Descriptor: | Lipoprotein-releasing ABC transporter permease subunit LolC, Lipoprotein-releasing system ATP-binding protein LolD, Lipoprotein-releasing system transmembrane protein LolE | | Authors: | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | | Deposit date: | 2020-10-25 | | Release date: | 2021-04-07 | | Last modified: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
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7ARH
 | | LolCDE in complex with lipoprotein | | Descriptor: | (2S)-3-hydroxypropane-1,2-diyl dihexadecanoate, LPP, Lipoprotein-releasing ABC transporter permease subunit LolC, ... | | Authors: | Tang, X.D, Chang, S.H, Zhang, K, Wang, T, Luo, Q.H, Qiao, W, Wang, C, Zhang, Z.B, Zhang, Z.Y, Zhu, X.F, Dong, C.J, Zhang, X, Dong, H.H. | | Deposit date: | 2020-10-25 | | Release date: | 2021-04-07 | | Last modified: | 2021-04-28 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural basis for bacterial lipoprotein relocation by the transporter LolCDE.
Nat.Struct.Mol.Biol., 28, 2021
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5WA4
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5W99
 | | Pyridine synthase, PbtD, from GE2270 biosynthesis bound to TSP | | Descriptor: | 2,2'-(6-(2'-(aminomethyl)-[2,4'-bithiazol]-4-yl)pyridine-2,5-diyl)bis(thiazole-4-carboxylic acid), PbtD, SULFATE ION | | Authors: | Cogan, D.P, Nair, S.K. | | Deposit date: | 2017-06-22 | | Release date: | 2017-11-22 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural insights into enzymatic [4+2] aza-cycloaddition in thiopeptide antibiotic biosynthesis.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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6LSA
 | | Complex structure of bovine herpesvirus 1 glycoprotein D and bovine nectin-1 IgV | | 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 D, ... | | Authors: | Yue, D, Chen, Z.J, Yang, F.L, Ye, F, Lin, S, Cheng, Y.W, Wang, J.C, Chen, Z.M, Lin, X, Yang, J, Chen, H, Zhang, Z.L, You, Y, Sun, H.L, Wen, A, Wang, L.L, Zheng, Y, Cao, Y, Li, Y.H, Lu, G.W. | | Deposit date: | 2020-01-17 | | Release date: | 2020-06-17 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.204 Å) | | Cite: | Crystal structure of bovine herpesvirus 1 glycoprotein D bound to nectin-1 reveals the basis for its low-affinity binding to the receptor.
Sci Adv, 6, 2020
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5LGG
 | | The N-terminal WD40 domain of Apc1 (Anaphase promoting complex subunit 1) | | Descriptor: | Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1,Anaphase-promoting complex subunit 1 | | Authors: | Li, Q, Aibara, S, Barford, D. | | Deposit date: | 2016-07-07 | | Release date: | 2016-10-05 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | WD40 domain of Apc1 is critical for the coactivator-induced allosteric transition that stimulates APC/C catalytic activity.
Proc.Natl.Acad.Sci.USA, 113, 2016
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7SQK
 | | Cryo-EM structure of the human augmin complex | | Descriptor: | HAUS augmin-like complex subunit 1, HAUS augmin-like complex subunit 2, HAUS augmin-like complex subunit 3, ... | | Authors: | Gabel, C.A, Chang, L. | | Deposit date: | 2021-11-05 | | Release date: | 2022-09-21 | | Last modified: | 2024-06-05 | | Method: | ELECTRON MICROSCOPY (8 Å) | | Cite: | Molecular architecture of the augmin complex.
Nat Commun, 13, 2022
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8ZC5
 | | SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ... | | Authors: | Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X. | | Deposit date: | 2024-04-28 | | Release date: | 2024-05-15 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.91 Å) | | Cite: | An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
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