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4H8E
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BU of 4h8e by Molmil
Structure of S. aureus undecaprenyl diphosphate synthase in complex with FPP and sulfate
Descriptor: FARNESYL DIPHOSPHATE, MAGNESIUM ION, SULFATE ION, ...
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-22
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H38
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BU of 4h38 by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-1297
Descriptor: (5-bromo-2-{[3-(octyloxy)benzyl]oxy}phenyl)phosphonic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
4H3C
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BU of 4h3c by Molmil
Structure of E. coli undecaprenyl diphosphate synthase in complex with BPH-987
Descriptor: (2Z)-4-[3-(decyloxy)phenyl]-2-hydroxy-4-oxobut-2-enoic acid, Undecaprenyl pyrophosphate synthase
Authors:Zhu, W, Oldfield, E.
Deposit date:2012-09-13
Release date:2012-12-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
7E3O
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BU of 7e3o by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody nCoV617
Descriptor: Spike protein S1, nCoV617 Heigh Chain, nCoV617 Light Chain
Authors:Chen, S.D, Yang, M.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structural Basis of a Human Neutralizing Antibody Specific to the SARS-CoV-2 Spike Protein Receptor-Binding Domain.
Microbiol Spectr, 9, 2021
6N3O
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BU of 6n3o by Molmil
Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents
Descriptor: N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide, eIF-2-alpha kinase GCN2
Authors:Hoffman, I.D, Fujimoto, J, Kurasawa, O, Takagi, T, Klein, M.G, Kefala, G, Ding, S.C, Cary, D.R, Mizojiri, R.
Deposit date:2018-11-15
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Identification of Novel, Potent, and Orally Available GCN2 Inhibitors with Type I Half Binding Mode.
Acs Med.Chem.Lett., 10, 2019
8IJ9
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BU of 8ij9 by Molmil
Crystal structure of the ELKS1/Rab6B complex
Descriptor: ELKS/Rab6-interacting/CAST family member 1, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Jin, G, Wei, Z.
Deposit date:2023-02-26
Release date:2023-06-14
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural basis of ELKS/Rab6B interaction and its role in vesicle capturing enhanced by liquid-liquid phase separation.
J.Biol.Chem., 299, 2023
6Q0J
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BU of 6q0j by Molmil
Structure of a MAPK pathway complex
Descriptor: 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Park, E, Rawson, S, Jeon, H, Eck, M.J.
Deposit date:2019-08-01
Release date:2019-10-09
Last modified:2020-04-22
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
6Q0K
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BU of 6q0k by Molmil
Structure of a MAPK pathway complex
Descriptor: 14-3-3 protein zeta/delta, Serine/threonine-protein kinase B-raf
Authors:Park, E, Rawson, S, Jeon, H, Eck, M.J.
Deposit date:2019-08-01
Release date:2019-10-09
Last modified:2020-04-22
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
6Q0T
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BU of 6q0t by Molmil
Structure of a MAPK pathway complex
Descriptor: 14-3-3 protein zeta, 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide, Dual specificity mitogen-activated protein kinase kinase 1, ...
Authors:Park, E, Rawson, S, Jeon, H, Eck, M.J.
Deposit date:2019-08-02
Release date:2019-10-09
Last modified:2020-04-22
Method:ELECTRON MICROSCOPY (5.7 Å)
Cite:Architecture of autoinhibited and active BRAF-MEK1-14-3-3 complexes.
Nature, 575, 2019
3UTD
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BU of 3utd by Molmil
Ec_IspH in complex with 4-oxopentyl diphosphate
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxopentyl trihydrogen diphosphate, FE3-S4 CLUSTER
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-25
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UV7
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BU of 3uv7 by Molmil
Ec_IspH in complex with buta-2,3-dienyl diphosphate (1300)
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, buta-2,3-dien-1-yl trihydrogen diphosphate
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-29
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UV3
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BU of 3uv3 by Molmil
Ec_IspH in complex with but-2-ynyl diphosphate (1086)
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, but-2-yn-1-yl trihydrogen diphosphate
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-29
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3URK
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BU of 3urk by Molmil
IspH in complex with propynyl diphosphate (1061)
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, prop-2-yn-1-yl trihydrogen diphosphate
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-22
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UV6
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BU of 3uv6 by Molmil
Ec_IspH in complex with 4-hydroxybutyl diphosphate (1301)
Descriptor: 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-hydroxybutyl trihydrogen diphosphate, IRON/SULFUR CLUSTER
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-11-29
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
3UWM
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BU of 3uwm by Molmil
Ec_IspH in complex with 4-oxobutyl diphosphate (1302)
Descriptor: (3E)-4-hydroxybut-3-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, 4-oxobutyl trihydrogen diphosphate, ...
Authors:Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M.
Deposit date:2011-12-02
Release date:2012-09-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of acetylene hydratase activity of the iron-sulphur protein IspH.
Nat Commun, 3, 2012
8IW0
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BU of 8iw0 by Molmil
Crystal structure of the KANK1/liprin-beta1 complex
Descriptor: Liprin-beta-1,KN motif and ankyrin repeat domain-containing protein 1
Authors:Zhang, J, Chen, S, Wei, Z, Yu, C.
Deposit date:2023-03-29
Release date:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
8IW5
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BU of 8iw5 by Molmil
Crystal structure of liprin-beta H2H3 dimer
Descriptor: CALCIUM ION, Liprin-beta-1
Authors:Zhang, J, Chen, S, Wei, Z.
Deposit date:2023-03-29
Release date:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:KANK1 shapes focal adhesions by orchestrating protein binding, mechanical force sensing, and phase separation.
Cell Rep, 42, 2023
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
4E9U
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BU of 4e9u by Molmil
Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with a thiocyanate inhibitor
Descriptor: 2-(4-phenoxyphenoxy)ethyl thiocyanate, Dehydrosqualene synthase, MAGNESIUM ION
Authors:Lin, F.-Y, Axelson, J, Liu, Y.-L, Zhnag, Y, Oldfield, E.
Deposit date:2012-03-21
Release date:2012-04-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
4E9Z
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BU of 4e9z by Molmil
Crystal structure of dehydrosqualene synthase (Crtm) from S. aureus complexed with quinuclidine BPH-651 in the S1 site
Descriptor: (3R)-3-biphenyl-4-yl-1-azabicyclo[2.2.2]octan-3-ol, Dehydrosqualene synthase
Authors:Lin, F.-Y, Liu, Y.-L, Oldfield, E.
Deposit date:2012-03-21
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Head-to-Head Prenyl Tranferases: Anti-Infective Drug Targets.
J.Med.Chem., 55, 2012
7F8L
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BU of 7f8l by Molmil
Crystal structure of Bat coronavirus RaTG13 ORF8 accessory protein
Descriptor: CALCIUM ION, Nonstructural protein NS8
Authors:Chen, X, Zhou, Z, Chen, S.
Deposit date:2021-07-02
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Crystal Structures of Bat and Human Coronavirus ORF8 Protein Ig-Like Domain Provide Insights Into the Diversity of Immune Responses.
Front Immunol, 12, 2021
7F5F
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BU of 7f5f by Molmil
SARS-CoV-2 ORF8 S84
Descriptor: CALCIUM ION, ORF8 protein
Authors:Chen, S, Zhou, Z, Chen, X.
Deposit date:2021-06-22
Release date:2022-01-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal Structures of Bat and Human Coronavirus ORF8 Protein Ig-Like Domain Provide Insights Into the Diversity of Immune Responses.
Front Immunol, 12, 2021
3SGT
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BU of 3sgt by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1299
Descriptor: 2-{[4-(3,4-dimethylphenoxy)phenyl]carbamoyl}benzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SGV
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BU of 3sgv by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1290
Descriptor: 2-{[3-(3,4-dimethylphenoxy)phenyl]carbamoyl}-4-nitrobenzoic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013
3SGX
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BU of 3sgx by Molmil
Crystal Structure of E. coli undecaprenyl pyrophosphate synthase in complex with BPH-1100
Descriptor: 4-{3-[(biphenyl-4-ylcarbonyl)amino]phenoxy}benzene-1,2-dicarboxylic acid, Undecaprenyl pyrophosphate synthase
Authors:Cao, R, Liu, Y.-L, Oldfield, E.
Deposit date:2011-06-15
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Antibacterial drug leads targeting isoprenoid biosynthesis.
Proc.Natl.Acad.Sci.USA, 110, 2013

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PDB entries from 2024-04-24

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