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4NGA
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BU of 4nga by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-[2-(propan-2-ylsulfonyl)benzyl]ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-11-01
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4NG9
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BU of 4ng9 by Molmil
Factor viia in complex with the inhibitor (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-n-(3-sulfamoylbenzyl)ethanamide
Descriptor: (2R)-2-[(1-aminoisoquinolin-6-yl)amino]-2-[3-ethoxy-4-(propan-2-yloxy)phenyl]-N-(3-sulfamoylbenzyl)ethanamide, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-11-01
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Design and Synthesis of Phenylpyrrolidine Phenylglycinamides As Highly Potent and Selective TF-FVIIa Inhibitors.
ACS Med Chem Lett, 5, 2014
4GL5
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BU of 4gl5 by Molmil
Structure of human placental aromatase complexed with designed inhibitor HDDG029 (compound 4)
Descriptor: (6alpha,8alpha)-6-(but-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ghosh, D.
Deposit date:2012-08-13
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.48 Å)
Cite:Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
4GL7
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BU of 4gl7 by Molmil
Structure of human placental aromatase complexed with designed inhibitor HDDG046 (compound 5)
Descriptor: (6alpha,8alpha)-6-(pent-2-yn-1-yloxy)androsta-1,4-diene-3,17-dione, Cytochrome P450 19A1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ghosh, D.
Deposit date:2012-08-13
Release date:2012-09-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.9 Å)
Cite:Novel aromatase inhibitors by structure-guided design.
J.Med.Chem., 55, 2012
4I0P
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BU of 4i0p by Molmil
HLA-DO in complex with HLA-DM
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ...
Authors:Guce, A.I, Mortimer, S.E, Stern, L.J.
Deposit date:2012-11-18
Release date:2012-12-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:HLA-DO acts as a substrate mimic to inhibit HLA-DM by a competitive mechanism.
Nat.Struct.Mol.Biol., 20, 2013
7TVB
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BU of 7tvb by Molmil
Stat5A Core in Complex with AK305
Descriptor: GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, Signal transducer and activator of transcription 5A
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2022-02-04
Release date:2023-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.653 Å)
Cite:A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
7TVA
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BU of 7tva by Molmil
Stat5a Core in complex with AK2292
Descriptor: DI(HYDROXYETHYL)ETHER, MALONATE ION, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2022-02-04
Release date:2023-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.835 Å)
Cite:A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
8HVS
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BU of 8hvs by Molmil
Solution Structure of the Antimicrobial Peptide HT-2
Descriptor: ARG-PHE-LEU-ARG-ARG-ILE-PHE-PHE-PHE-PHE
Authors:Li, S, Yang, A.
Deposit date:2022-12-27
Release date:2023-10-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Design and evaluation of tadpole-like conformational antimicrobial peptides.
Commun Biol, 6, 2023
7E9B
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BU of 7e9b by Molmil
Structural basis of HLX10 PD-1 receptor recognition, a promising anti-PD-1 antibody clinical candidate for cancer immunotherapy
Descriptor: Programmed cell death protein 1, heavy chain of Fab fragment of HLX10, light chain of Fab fragment of HLX10
Authors:Fan, S.L, Jiang, W.D.
Deposit date:2021-03-04
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Structural basis of HLX10 PD-1 receptor recognition, a promising anti-PD-1 antibody clinical candidate for cancer immunotherapy.
Plos One, 16, 2021
7DJZ
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BU of 7djz by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW01 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, MW01 heavy chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-11-22
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.397 Å)
Cite:Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7DK0
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BU of 7dk0 by Molmil
Crystal structure of SARS-CoV-2 Spike RBD in complex with MW05 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, MW05 heavy chain, MW05 light chain, ...
Authors:Wang, J, Jiao, S, Wang, R, Zhang, J, Zhang, M, Wang, M.
Deposit date:2020-11-22
Release date:2021-06-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.199 Å)
Cite:Antibody-dependent enhancement (ADE) of SARS-CoV-2 pseudoviral infection requires Fc gamma RIIB and virus-antibody complex with bivalent interaction.
Commun Biol, 5, 2022
7D4B
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BU of 7d4b by Molmil
Crystal structure of 4-1BB in complex with a VHH
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Wang, C.
Deposit date:2020-09-23
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
7CZD
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BU of 7czd by Molmil
Crystal structure of PD-L1 in complex with a VHH
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Programmed cell death 1 ligand 1, ...
Authors:Wang, C.
Deposit date:2020-09-08
Release date:2021-07-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Generation of a safe and efficacious llama single-domain antibody fragment (vHH) targeting the membrane-proximal region of 4-1BB for engineering therapeutic bispecific antibodies for cancer.
J Immunother Cancer, 9, 2021
5WK1
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BU of 5wk1 by Molmil
Structure of the major capsid protein and the capsid stabilizing protein of the marine siphovirus TW1
Descriptor: Capsid Stabilizing Protein, Major Capsid Protein
Authors:Wang, Z, Rossmann, M.G.
Deposit date:2017-07-24
Release date:2018-01-17
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structure of the Marine Siphovirus TW1: Evolution of Capsid-Stabilizing Proteins and Tail Spikes.
Structure, 26, 2018
7C7X
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BU of 7c7x by Molmil
Structural insights into nucleosome reorganization by NAP1-RELATED PROTEIN 1 (NRP1)
Descriptor: GLYCEROL, Histone H2A.6, Histone H2B.1, ...
Authors:Luo, Q, Baihui, W.
Deposit date:2020-05-27
Release date:2020-11-11
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:NAP1-Related Protein 1 (NRP1) has multiple interaction modes for chaperoning histones H2A-H2B.
Proc.Natl.Acad.Sci.USA, 117, 2020
5XSJ
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BU of 5xsj by Molmil
XylFII-LytSN complex
Descriptor: Periplasmic binding protein/LacI transcriptional regulator, Signal transduction histidine kinase, LytS, ...
Authors:Li, J.X, Wang, C.Y, Zhang, P.
Deposit date:2017-06-14
Release date:2017-08-02
Last modified:2021-09-15
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5XSD
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BU of 5xsd by Molmil
XylFII-LytSN complex mutant - D103A
Descriptor: Periplasmic binding protein/LacI transcriptional regulator, Signal transduction histidine kinase, LytS
Authors:Li, J.X, Wang, C.Y, Zhang, P.
Deposit date:2017-06-13
Release date:2017-08-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5XSS
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BU of 5xss by Molmil
XylFII molecule
Descriptor: Periplasmic binding protein/LacI transcriptional regulator, beta-D-xylopyranose
Authors:Li, J.X, Wang, C.Y, Zhang, P.
Deposit date:2017-06-15
Release date:2017-08-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.093 Å)
Cite:Molecular mechanism of environmental d-xylose perception by a XylFII-LytS complex in bacteria
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5YHQ
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BU of 5yhq by Molmil
Cryo-EM Structure of CVA6 VLP
Descriptor: Capsid protein VP1, Capsid protein VP3, capsid protein VP0
Authors:Chen, J, Zhang, C, Huang, Z, Cong, Y.
Deposit date:2017-09-29
Release date:2017-10-25
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A 3.0-Angstrom Resolution Cryo-Electron Microscopy Structure and Antigenic Sites of Coxsackievirus A6-Like Particles.
J. Virol., 92, 2018
7XCE
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BU of 7xce by Molmil
Crystal structure of Ankyrin G in complex with neurofascin
Descriptor: GLYCEROL, Neurofascin,Ankyrin-3, SULFATE ION
Authors:He, L, Li, J, Wang, C.
Deposit date:2022-03-24
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Ankyrin-G in complex with a fragment of Neurofascin reveals binding mechanisms required for integrity of the axon initial segment.
J.Biol.Chem., 298, 2022
7XR2
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BU of 7xr2 by Molmil
3.1 Angstrom cryoEM icosahedral reconstruction of mud crab reovirus
Descriptor: VP11, VP12, VP3
Authors:Zhang, Q, Gao, Y.
Deposit date:2022-05-09
Release date:2023-04-19
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:The structure of a 12-segmented dsRNA reovirus: New insights into capsid stabilization and organization.
Plos Pathog., 19, 2023
7XR3
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BU of 7xr3 by Molmil
3.4 Angstrom cryoEM D5 reconstruction of mud crab reovirus
Descriptor: VP1, VP3
Authors:Zhang, Q.F, Gao, Y.Z.
Deposit date:2022-05-09
Release date:2023-04-19
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:The structure of a 12-segmented dsRNA reovirus: New insights into capsid stabilization and organization.
Plos Pathog., 19, 2023
7XZP
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BU of 7xzp by Molmil
Formate-tetrahydrofolate ligase in complex with berberine
Descriptor: BERBERINE, Formate--tetrahydrofolate ligase, PROLINE, ...
Authors:Fang, C.L, Zhang, Y.
Deposit date:2022-06-03
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
7XZO
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BU of 7xzo by Molmil
Formate-tetrahydrofolate ligase in complex with ATP
Descriptor: (R,R)-2,3-BUTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Formate--tetrahydrofolate ligase, ...
Authors:Fang, C.L, Zhang, Y.
Deposit date:2022-06-03
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023
7XZN
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BU of 7xzn by Molmil
Formate-tetrahydrofolate ligase from Peptostreptococcus anaerobius
Descriptor: 1,2-ETHANEDIOL, Formate--tetrahydrofolate ligase, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Fang, C.L, Zhang, Y.
Deposit date:2022-06-03
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Identification of FtfL as a novel target of berberine in intestinal bacteria.
Bmc Biol., 21, 2023

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数据于2024-05-22公开中

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