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7EWA
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BU of 7ewa by Molmil
GDP-bound KRAS G12D in complex with TH-Z827
Descriptor: 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, ...
Authors:Shen, P, Yang, Y, Yang, Y, Zhang, L, Chen, C.-C, Guo, R.-T.
Deposit date:2021-05-25
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:KRAS(G12D) can be targeted by potent inhibitors via formation of salt bridge.
Cell Discov, 8, 2022
7W5H
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BU of 7w5h by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FsPP
Descriptor: GLYCEROL, MAGNESIUM ION, MALONATE ION, ...
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5G
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BU of 7w5g by Molmil
The apo structure of trichobrasilenol synthase TaTC6 with the space group of orthorhombic
Descriptor: GLYCEROL, SULFATE ION, Terpene cyclase 6
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5F
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BU of 7w5f by Molmil
The apo structure of trichobrasilenol synthase TaTC6 with the space group of monoclinic
Descriptor: MAGNESIUM ION, Terpene cyclase 6
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5I
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BU of 7w5i by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FPP-1
Descriptor: FARNESYL DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7W5J
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BU of 7w5j by Molmil
The structure of trichobrasilenol synthase TaTC6 in complex with FPP-2
Descriptor: FARNESYL, FARNESYL DIPHOSPHATE, GLYCEROL, ...
Authors:Chen, C, Wang, T, Yang, Y, Zhang, L, Ko, T, Huang, J, Guo, R.
Deposit date:2021-11-30
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insights into the cyclization of unusual brasilane-type sesquiterpenes.
Int.J.Biol.Macromol., 209, 2022
7YAN
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BU of 7yan by Molmil
UDP-glucuronosyltransferase2B17 C-terminal domain
Descriptor: L(+)-TARTARIC ACID, UDP-glucuronosyltransferase 2B17
Authors:Wang, C.Y, Zhang, L.
Deposit date:2022-06-28
Release date:2023-07-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:UDP-glucuronosyltransferase2B17 C-terminal domain
To Be Published
7D4G
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BU of 7d4g by Molmil
A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2
Descriptor: Heavy chain of FC05 Fab, Light chain of FC05 Fab, Spike glycoprotein S1
Authors:Cao, L, Wang, X.
Deposit date:2020-09-23
Release date:2021-04-07
Last modified:2022-02-23
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:A proof of concept for neutralizing antibody-guided vaccine design against SARS-CoV-2.
Natl Sci Rev, 8, 2021
6O42
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BU of 6o42 by Molmil
Crystal structure of the germline PGZL1 (PGZL1_gVmDmJ) Fab in complex with MPER peptide epitope.
Descriptor: GLYCEROL, MPER peptide, region 671-683 of HIV-1 gp41, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2019-02-27
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
2YHN
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BU of 2yhn by Molmil
The IDOL-UBE2D complex mediates sterol-dependent degradation of the LDL receptor
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE MYLIP, ZINC ION
Authors:Fairall, L, Goult, B.T, Millard, C.J, Tontonoz, P, Schwabe, J.W.R.
Deposit date:2011-05-04
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Idol-Ube2D Complex Mediates Sterol-Dependent Degradation of the Ldl Receptor.
Genes Dev., 25, 2011
2YHO
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BU of 2yho by Molmil
The IDOL-UBE2D complex mediates sterol-dependent degradation of the LDL receptor
Descriptor: ACETATE ION, E3 UBIQUITIN-PROTEIN LIGASE MYLIP, UBIQUITIN-CONJUGATING ENZYME E2 D1, ...
Authors:Fairall, L, Goult, B.T, Millard, C.J, Tontonoz, P, Schwabe, J.W.R.
Deposit date:2011-05-04
Release date:2011-06-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Idol-Ube2D Complex Mediates Sterol-Dependent Degradation of the Ldl Receptor.
Genes Dev., 25, 2011
6O3G
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BU of 6o3g by Molmil
Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41).
Descriptor: GLYCEROL, MEPER peptide, region 671-683 of HIV-1 gp41, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2019-02-26
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.645 Å)
Cite:An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O3D
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BU of 6o3d by Molmil
Crystal structure of the unbound Fab fragment of the human HIV-1 neutralizing antibody PGZL1.
Descriptor: GLYCEROL, PGZL1 FAB HEAVY CHAIN, PGZL1 FAB LIGHT CHAIN, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2019-02-26
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O3J
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BU of 6o3j by Molmil
Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41) and phosphatidic acid (06:0 PA)
Descriptor: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, (4S)-2-METHYL-2,4-PENTANEDIOL, MPER peptide, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2019-02-26
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.416 Å)
Cite:An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O3K
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BU of 6o3k by Molmil
Crystal structure of the unbound Fab fragment of the human HIV-1 neutralizing antibody PGZL1.H4K3
Descriptor: GLYCEROL, PGZL1.H4K3 heavy chain, PGZL1.H4K3 light chain, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2019-02-26
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O3U
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BU of 6o3u by Molmil
Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1.H4K3 in complex with 06:0 PA
Descriptor: (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, GLYCEROL, PGZL1.H4K3 heavy chain, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2019-02-27
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.105 Å)
Cite:An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O3L
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BU of 6o3l by Molmil
Crystal structure of the Fab fragment of the human HIV-1 neutralizing antibody PGZL1.H4K3 in complex with its MPER peptide epitope (region 671-683 of HIV-1 gp41).
Descriptor: GLYCEROL, MPER peptide, region 671-683 of HIV-1 gp41, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2019-02-26
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
6O41
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BU of 6o41 by Molmil
Crystal structure of the unbound PGZL1 germline Fab fragment (PGZL1_gVmDmJ)
Descriptor: GLYCEROL, Immunoglobulin G-binding protein G (DOMAIN III), germline PGZL1_gVmDmJ heavy chain, ...
Authors:Irimia, A, Wilson, I.A.
Deposit date:2019-02-27
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.465 Å)
Cite:An MPER antibody neutralizes HIV-1 using germline features shared among donors.
Nat Commun, 10, 2019
3WUY
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BU of 3wuy by Molmil
Crystal structure of Nit6803
Descriptor: Nitrilase
Authors:Yuan, Y.A, Yin, B, Wang, C.
Deposit date:2014-05-09
Release date:2014-12-31
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural insights into enzymatic activity and substrate specificity determination by a single amino acid in nitrilase from Syechocystis sp. PCC6803
J.Struct.Biol., 188, 2014
6LDL
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BU of 6ldl by Molmil
Crystal structure of CYP116B46-N(20-445) from Tepidiphilus thermophilus in complex with HEME
Descriptor: BICINE, Cytochrome P450, GLYCEROL, ...
Authors:Zhang, L.L, Xie, Z.Z, Huang, J.W, Liu, W.D, Chen, C.C, Guo, R.T.
Deposit date:2019-11-21
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural insight into the electron transfer pathway of a self-sufficient P450 monooxygenase.
Nat Commun, 11, 2020
7NZN
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BU of 7nzn by Molmil
Structure of RET kinase domain bound to inhibitor JB-48
Descriptor: 2-[4-[[4-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-6-[(3-methyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-~{N}-(3-fluorophenyl)ethanamide, FORMIC ACID, Proto-oncogene tyrosine-protein kinase receptor Ret
Authors:Briggs, D.C, McDonald, N.Q.
Deposit date:2021-03-24
Release date:2022-02-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Discovery of N-Trisubstituted Pyrimidine Derivatives as Type I RET and RET Gatekeeper Mutant Inhibitors with a Novel Kinase Binding Pose.
J.Med.Chem., 65, 2022
8KIH
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BU of 8kih by Molmil
PhmA, a type I diterpene synthase without NST/DTE motif
Descriptor: (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate, MAGNESIUM ION, diterpene synthase, ...
Authors:Zhang, B, Ge, H.M, Zhu, A, Zhang, Y.
Deposit date:2023-08-23
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biosynthesis of Platelet Activating Factor Antagonist Phomactins Revealing a New Class of Type I Diterpene Synthase
To Be Published
8KI5
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BU of 8ki5 by Molmil
PhmA, a type I diterpene synthase without NST/DTE motif
Descriptor: (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, PhmA
Authors:Zhang, B, Ge, H.M, Zhu, A, Zhang, Y.
Deposit date:2023-08-22
Release date:2023-10-04
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Biosynthesis of Platelet Activating Factor Antagonist Phomactins Revealing a New Class of Type I Diterpene Synthase
To Be Published
7VQD
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BU of 7vqd by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with farnesyl pyrophosphate and geranylgeranyl pyrophosphate.
Descriptor: Di-trans-poly-cis-decaprenylcistransferase, FARNESYL DIPHOSPHATE, NerylNeryl pyrophosphate, ...
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022
7VQC
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BU of 7vqc by Molmil
Structure of MA1831 from Methanosarcina acetivorans in complex with pyrophosphate
Descriptor: Di-trans-poly-cis-decaprenylcistransferase, PYROPHOSPHATE 2-, SULFATE ION
Authors:Zhang, L.L, Chen, C.C, Liu, W.D, Huang, J.W, Zhang, X.W, Liu, B.B, Guo, R.T.
Deposit date:2021-10-19
Release date:2022-08-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights to a bi-functional isoprenyl diphosphate synthase that can catalyze head-to-tail and head-to-middle condensation.
Int.J.Biol.Macromol., 214, 2022

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PDB entries from 2024-07-17

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