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7E4N
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BU of 7e4n by Molmil
Crystal structure of Sat1646
Descriptor: MAGNESIUM ION, Sat1646
Authors:Yu, J.H, Xing, B.Y, Ma, M.
Deposit date:2021-02-14
Release date:2021-10-06
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Functional characterization and structural bases of two class I diterpene synthases in pimarane-type diterpene biosynthesis
Commun Chem, 4, 2021
6TCU
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BU of 6tcu by Molmil
Glycogen synthase kinase-3 beta (GSK3b) in complex with ligand 1
Descriptor: 5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide, ACETATE ION, Glycogen synthase kinase-3 beta
Authors:Lammens, A, Krapp, S, Buonfiglio, R, Ombrato, R.
Deposit date:2019-11-06
Release date:2020-09-16
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Optimization of Indazole-Based GSK-3 Inhibitors with Mitigated hERG Issue andIn VivoActivity in a Mood Disorder Model.
Acs Med.Chem.Lett., 11, 2020
2IVO
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BU of 2ivo by Molmil
Structure of UP1 protein
Descriptor: TUNGSTATE(VI)ION, UP1
Authors:Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P.
Deposit date:2006-06-14
Release date:2007-07-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro.
Nucleic Acids Res., 35, 2007
2IVN
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BU of 2ivn by Molmil
Structure of UP1 protein
Descriptor: GLYCEROL, MAGNESIUM ION, O-SIALOGLYCOPROTEIN ENDOPEPTIDASE, ...
Authors:Hecker, A, Leulliot, N, Graille, M, Dorlet, P, Quevillon-Cheruel, S, Ulryck, N, Van Tilbeurgh, H, Forterre, P.
Deposit date:2006-06-14
Release date:2007-07-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:An Archaeal Orthologue of the Universal Protein Kae1 is an Iron Metalloprotein which Exhibits Atypical DNA-Binding Properties and Apurinic-Endonuclease Activity in Vitro.
Nucleic Acids Res., 35, 2007
3EL4
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BU of 3el4 by Molmil
Crystal structure of inhibitor saquinavir (SQV) complexed with the multidrug HIV-1 protease variant L63P/V82T/I84V
Descriptor: (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide, ACETATE ION, Protease
Authors:Prabu-Jeyabalan, M, King, N, Schiffer, C.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
6I57
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BU of 6i57 by Molmil
NMR structure of the third TPR domain of the human SPAG1 protein
Descriptor: Sperm-associated antigen 1
Authors:Chagot, M.E, Quinternet, M.
Deposit date:2018-11-13
Release date:2019-06-05
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Binding properties of the quaternary assembly protein SPAG1.
Biochem.J., 476, 2019
2K8J
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BU of 2k8j by Molmil
Solution structure of HCV p7 tm2
Descriptor: p7tm2
Authors:Montserret, R, Penin, F.
Deposit date:2008-09-12
Release date:2009-01-13
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:NMR structure and ion channel activity of the p7 protein from hepatitis C virus.
J.Biol.Chem., 285, 2010
1DCJ
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BU of 1dcj by Molmil
SOLUTION STRUCTURE OF YHHP, A NOVEL ESCHERICHIA COLI PROTEIN IMPLICATED IN THE CELL DIVISION
Descriptor: YHHP PROTEIN
Authors:Katoh, E, Hatta, T, Shindo, H, Mizuno, T, Yamazaki, T.
Deposit date:1999-11-05
Release date:2001-07-18
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:High precision NMR structure of YhhP, a novel Escherichia coli protein implicated in cell division.
J.Mol.Biol., 304, 2000
6O8I
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BU of 6o8i by Molmil
BTK In Complex With Inhibitor
Descriptor: 4-[(3S)-3-{[(2E)-but-2-enoyl]amino}piperidin-1-yl]-5-fluoro-2,3-dimethyl-1H-indole-7-carboxamide, Tyrosine-protein kinase BTK
Authors:Pokross, M, Tebben, A.J, Watterson, S.H.
Deposit date:2019-03-11
Release date:2019-04-03
Last modified:2019-04-24
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK).
J. Med. Chem., 62, 2019
7B3Y
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BU of 7b3y by Molmil
Structure of a nanoparticle for a COVID-19 vaccine candidate
Descriptor: Fibronectin binding protein,2-dehydro-3-deoxyphosphogluconate aldolase/4-hydroxy-2-oxoglutarate aldolase
Authors:Duyvesteyn, H.M.E, Stuart, D.I.
Deposit date:2020-12-01
Release date:2021-01-13
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A COVID-19 vaccine candidate using SpyCatcher multimerization of the SARS-CoV-2 spike protein receptor-binding domain induces potent neutralising antibody responses.
Nat Commun, 12, 2021
6N58
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BU of 6n58 by Molmil
Cryo-EM structure of Escherichia coli RNAP polymerase bound with TraR in conformation II
Descriptor: CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
Deposit date:2018-11-21
Release date:2020-02-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
7OZR
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BU of 7ozr by Molmil
Subtomogram average of authentic mumps virus nucleocapsid from HeLa cell lysate of long helical pitch
Descriptor: Nucleocapsid, RNA (5'-R(P*UP*UP*UP*UP*UP*U)-3')
Authors:Mahamid, J, Zhang, X.
Deposit date:2021-06-28
Release date:2023-03-01
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Molecular mechanisms of stress-induced reactivation in mumps virus condensates.
Cell, 186, 2023
6OUL
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BU of 6oul by Molmil
Cryo-EM structure of Escherichia coli RNAP polymerase bound to rpsTP2 promoter DNA
Descriptor: CHAPSO, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
Deposit date:2019-05-04
Release date:2020-02-26
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
6P1K
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BU of 6p1k by Molmil
Cryo-EM structure of Escherichia coli sigma70 bound RNAP polymerase holoenzyme
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Chen, J, Chiu, C.E, Campbell, E.A, Darst, S.A.
Deposit date:2019-05-20
Release date:2020-02-26
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:E. coliTraR allosterically regulates transcription initiation by altering RNA polymerase conformation.
Elife, 8, 2019
8AW2
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BU of 8aw2 by Molmil
Mouse serotonin 5-HT3A receptor in complex with vortioxetine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Lopez-Sanchez, U, Nury, H.
Deposit date:2022-08-29
Release date:2024-03-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors.
Nat.Struct.Mol.Biol., 2024
8AXD
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BU of 8axd by Molmil
Human serotonin 5-HT3A receptor (apo, resting conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A
Authors:Lopez-Sanchez, U, Nury, H.
Deposit date:2022-08-31
Release date:2024-03-06
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors.
Nat.Struct.Mol.Biol., 2024
4IMK
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BU of 4imk by Molmil
Uncrossed Fab binding to human Angiopoietin 2
Descriptor: GLYCEROL, Heavy Chain, Light Chain, ...
Authors:Fenn, S, Schiller, C, Griese, J.J, Hopfner, K.-P, Kettenberger, H.
Deposit date:2013-01-03
Release date:2013-04-17
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.202 Å)
Cite:Crystal Structure of an Anti-Ang2 CrossFab Demonstrates Complete Structural and Functional Integrity of the Variable Domain.
Plos One, 8, 2013
8BLA
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BU of 8bla by Molmil
Human serotonin 5-HT3A receptor in complex with vortioxetine (detergent, ECD only, active/distorted conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Lopez-Sanchez, U, Nury, H.
Deposit date:2022-11-09
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors.
Nat.Struct.Mol.Biol., 2024
8BLB
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BU of 8blb by Molmil
Human serotonin 5-HT3A receptor in complex with vortioxetine (nanodiscs, ECD, active/distorted conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A, ...
Authors:Lopez-Sanchez, U, Nury, H.
Deposit date:2022-11-09
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors.
Nat.Struct.Mol.Biol., 2024
8BL8
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BU of 8bl8 by Molmil
Human serotonin 5-HT3A receptor (apo, active/distorted conformation)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-hydroxytryptamine receptor 3A
Authors:Lopez-Sanchez, U, Nury, H.
Deposit date:2022-11-09
Release date:2024-05-15
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Structural determinants for activity of the antidepressant vortioxetine at human and rodent 5-HT 3 receptors.
Nat.Struct.Mol.Biol., 2024
4IML
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BU of 4iml by Molmil
CrossFab binding to human Angiopoietin 2
Descriptor: Crossed heavy chain (VH-Ckappa), Crossed light chain (VL-CH1), GLYCEROL
Authors:Fenn, S, Schiller, C, Griese, J, Hopfner, K.-P, Kettenberger, H.
Deposit date:2013-01-03
Release date:2013-04-17
Last modified:2013-05-22
Method:X-RAY DIFFRACTION (2.931 Å)
Cite:Crystal Structure of an Anti-Ang2 CrossFab Demonstrates Complete Structural and Functional Integrity of the Variable Domain.
Plos One, 8, 2013
8K5W
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BU of 8k5w by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
Descriptor: 2-[[5-fluoranyl-7-(methylamino)-1H-indol-2-yl]carbonyl]-N-(2-pyrrol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ...
Authors:Kamitani, M, Mima, M, Nishikawa-Shimono, R.
Deposit date:2023-07-24
Release date:2023-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
8K5V
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BU of 8k5v by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
Descriptor: 6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl-(7-ethyl-2H-indazol-3-yl)methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ...
Authors:Kamitani, M, Mima, M, Nishikawa-Shimono, R.
Deposit date:2023-07-24
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
8K5Y
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BU of 8k5y by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
Descriptor: (3-azanyl-4-fluoranyl-5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)-[6-(2-oxidanylpropan-2-yl)-1H-indol-2-yl]methanone, CALCIUM ION, DIHYDROGENPHOSPHATE ION, ...
Authors:Kamitani, M, Mima, M, Nishikawa-Shimono, R.
Deposit date:2023-07-24
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023
8K5X
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BU of 8k5x by Molmil
Crystal structure of human proMMP-9 catalytic domain in complex with inhibitor
Descriptor: (6-cyclopropyl-1~{H}-indol-2-yl)-(5,7,8,9-tetrahydropyrido[4,3-c]azepin-6-yl)methanone, CALCIUM ION, CHLORIDE ION, ...
Authors:Kamitani, M, Mima, M, Nishikawa-Shimono, R.
Deposit date:2023-07-24
Release date:2023-12-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of novel indole derivatives as potent and selective inhibitors of proMMP-9 activation.
Bioorg.Med.Chem.Lett., 97, 2023

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