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8I1M
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BU of 8i1m by Molmil
Crystal structure of oxidated APSK1 domain from human PAPSS1 in complex with APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, PAPSS1 protein, ...
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
8I1O
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BU of 8i1o by Molmil
Crystal structure of APSK2 domain from human PAPSS2 in complex with exogenous APS and ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-PHOSPHOSULFATE, Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2
Authors:Zhang, L, Song, W.Y, Zhang, L.
Deposit date:2023-01-13
Release date:2023-06-28
Last modified:2023-07-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Redox switching mechanism of the adenosine 5'-phosphosulfate kinase domain (APSK2) of human PAPS synthase 2.
Structure, 31, 2023
2GV9
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BU of 2gv9 by Molmil
Crystal structure of the Herpes Simplex virus type 1 DNA polymerase
Descriptor: DNA polymerase, GUANIDINE, MERCURY (II) ION, ...
Authors:Liu, S.
Deposit date:2006-05-02
Release date:2006-05-16
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Crystal structure of the herpes simplex virus 1 DNA polymerase.
J.Biol.Chem., 281, 2006
3G9L
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BU of 3g9l by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-styrylindolin-2-one
Descriptor: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Jacobs, M.D.
Deposit date:2009-02-13
Release date:2009-04-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3G9N
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BU of 3g9n by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one
Descriptor: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Jacobs, M.D.
Deposit date:2009-02-13
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3G90
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BU of 3g90 by Molmil
JNK-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)indolin-2-one
Descriptor: (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
Authors:Xie, X, Jacobs, M.D.
Deposit date:2009-02-12
Release date:2009-02-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3IO7
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BU of 3io7 by Molmil
2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2
Descriptor: (3S)-1-[6-(2-aminopyrazolo[1,5-a]pyrimidin-3-yl)pyrimidin-4-yl]-N,N-diethylpiperidine-3-carboxamide, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
Deposit date:2009-08-13
Release date:2009-11-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
3IOK
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BU of 3iok by Molmil
2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2
Descriptor: 3-(6-{[(1S)-1-(4-fluorophenyl)ethyl]amino}pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine, Tyrosine-protein kinase JAK2
Authors:Zuccola, H.J, Ledeboer, M.W, Pierce, A.C.
Deposit date:2009-08-14
Release date:2009-11-10
Last modified:2013-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:2-Aminopyrazolo[1,5-a]pyrimidines as potent and selective inhibitors of JAK2.
Bioorg.Med.Chem.Lett., 19, 2009
6BNT
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BU of 6bnt by Molmil
Crystal structure of AP2 mu1 adaptin C-terminal domain with IRS-1 peptide
Descriptor: AP-2 complex subunit mu, Insulin receptor substrate 1
Authors:Kikuchi, S, Choi, E, Yu, H.
Deposit date:2017-11-17
Release date:2018-11-21
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mitotic regulators and the SHP2-MAPK pathway promote IR endocytosis and feedback regulation of insulin signaling.
Nat Commun, 10, 2019
5UZK
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BU of 5uzk by Molmil
Crystal Structure of PKA bound to an pyrrolo pyridine inhibitor
Descriptor: 2-{3-[3-(piperidin-4-yl)propoxy]phenyl}-N-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]acetamide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
Authors:Jacobs, M.D, Brown, K.
Deposit date:2017-02-26
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
5UZJ
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BU of 5uzj by Molmil
Crystal Structure of ROCK1 bound to an aminopyridine inhibitor
Descriptor: N-[4-(2-aminopyridin-4-yl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide, Rho-associated protein kinase 1
Authors:Jacobs, M.D.
Deposit date:2017-02-26
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:ROCK inhibitors 3: Design, synthesis and structure-activity relationships of 7-azaindole-based Rho kinase (ROCK) inhibitors.
Bioorg. Med. Chem. Lett., 28, 2018
5VEB
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BU of 5veb by Molmil
Crystal structure of a Fab binding to extracellular domain 5 of Cadherin-6
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, Cadherin-6, anti-CDH6 Fab heavy chain, ...
Authors:Zhu, X, Bialucha, C.U, London, A, Clark, K, Hu, T.
Deposit date:2017-04-04
Release date:2017-06-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:Discovery and Optimization of HKT288, a Cadherin-6-Targeting ADC for the Treatment of Ovarian and Renal Cancers.
Cancer Discov, 7, 2017
5BML
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BU of 5bml by Molmil
ROCK 1 bound to a pyridine thiazole inhibitor
Descriptor: N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide, Rho-associated protein kinase 1
Authors:Jacobs, M.D.
Deposit date:2015-05-22
Release date:2015-06-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors.
J.Med.Chem., 58, 2015
7U04
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BU of 7u04 by Molmil
IOMA class antibody ACS101
Descriptor: GLYCEROL, IOMA class antibody ACS101 heavy chain, IOMA class antibody ACS101 light chain
Authors:Farokhi, E, Stanfield, R.L, Wilson, I.A.
Deposit date:2022-02-17
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein.
Nat Commun, 13, 2022
7U0K
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BU of 7u0k by Molmil
IOMA class antibody Fab ACS124
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, IOMA Class antibody ACS124 Heavy chain, IOMA Class antibody ACS124 Light chain
Authors:Farokhi, E, Stanfield, R.L, Wilson, I.A.
Deposit date:2022-02-18
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Identification of IOMA-class neutralizing antibodies targeting the CD4-binding site on the HIV-1 envelope glycoprotein.
Nat Commun, 13, 2022
5EHR
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BU of 5ehr by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2015-10-28
Release date:2016-06-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Allosteric inhibition of SHP2 phosphatase inhibits cancers driven by receptor tyrosine kinases.
Nature, 535, 2016
5F7E
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BU of 5f7e by Molmil
Crystal structure of germ-line precursor of 3BNC60 Fab
Descriptor: Fab heavy chain, Fab light chain
Authors:Sievers, S.A, Scharf, L, Jiang, S, Bjorkman, P.J.
Deposit date:2015-12-08
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for germline antibody recognition of HIV-1 immunogens.
Elife, 5, 2016
5FEC
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BU of 5fec by Molmil
Crystal structure of 3BNC60 Fab germline precursor in complex with 426c.TM4deltaV1-3 gp120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 426c.TM4deltaV1-3 gp120, ...
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2015-12-16
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Structural basis for germline antibody recognition of HIV-1 immunogens.
Elife, 5, 2016
5FA2
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BU of 5fa2 by Molmil
Crystal structure of 426c.TM4deltaV1-3 p120
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, THIOCYANATE ION, ...
Authors:Scharf, L, Bjorkman, P.J.
Deposit date:2015-12-10
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for germline antibody recognition of HIV-1 immunogens.
Elife, 5, 2016
7CG7
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BU of 7cg7 by Molmil
Cryo-EM structure of the flagellar MS ring with C34 symmetry from Salmonella
Descriptor: Flagellar M-ring protein
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-30
Release date:2021-04-28
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CBM
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BU of 7cbm by Molmil
Cryo-EM structure of the flagellar distal rod with partial hook from Salmonella
Descriptor: Flagellar basal-body rod protein FlgF, Flagellar basal-body rod protein FlgG, Flagellar hook protein FlgE
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-12
Release date:2021-04-28
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CGO
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BU of 7cgo by Molmil
Cryo-EM structure of the flagellar motor-hook complex from Salmonella
Descriptor: Flagellar L-ring protein, Flagellar M-ring protein, Flagellar MS ring L1, ...
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-07-01
Release date:2021-04-28
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CG4
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BU of 7cg4 by Molmil
Cryo-EM structure of the flagellar export apparatus with FliE from Salmonella
Descriptor: Flagellar biosynthetic protein FliP, Flagellar hook-basal body complex protein FliE
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-30
Release date:2021-04-28
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CBL
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BU of 7cbl by Molmil
Cryo-EM structure of the flagellar LP ring from Salmonella
Descriptor: Flagellar L-ring protein, Flagellar P-ring protein, OCTANOIC ACID (CAPRYLIC ACID)
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-06-12
Release date:2021-04-28
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021
7CGB
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BU of 7cgb by Molmil
Cryo-EM structure of the flagellar hook from Salmonella
Descriptor: Flagellar hook protein FlgE
Authors:Tan, J.X, Chang, S.H, Wang, X.F, Xu, C.H, Zhou, Y, Zhang, X, Zhu, Y.Q.
Deposit date:2020-07-01
Release date:2021-04-28
Last modified:2021-05-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of assembly and torque transmission of the bacterial flagellar motor.
Cell, 184, 2021

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PDB entries from 2024-04-24

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