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7R1V
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BU of 7r1v by Molmil
Crystal structure of E.coli BamA beta-barrel in complex with dynobactin A
Descriptor: Dynobactin A, Outer membrane protein assembly factor BamA
Authors:Jakob, R.P, Hiller, S, Maier, T.
Deposit date:2022-02-03
Release date:2022-09-28
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
7R1W
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BU of 7r1w by Molmil
E. coli BAM complex (BamABCDE) bound to dynobactin A
Descriptor: Dynobactin A, Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, ...
Authors:Jakob, R.P, Hiller, S, Maier, T.
Deposit date:2022-02-03
Release date:2022-09-28
Last modified:2024-04-03
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
7T3H
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BU of 7t3h by Molmil
MicroED structure of Dynobactin
Descriptor: TRP-ASN-SER-ASN-VAL-HIS-SER-TYR-ARG-PHE
Authors:Yoo, B.-K, Kaiser, J.T, Rees, D.C, Miller, R.D, Iinishi, A, Lewis, K, Bowman, S.
Deposit date:2021-12-07
Release date:2022-10-19
Method:ELECTRON CRYSTALLOGRAPHY (1.05 Å)
Cite:Computational identification of a systemic antibiotic for gram-negative bacteria.
Nat Microbiol, 7, 2022
6V9F
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BU of 6v9f by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 1-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-amine, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6V9L
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BU of 6v9l by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide, ACETATE ION, FORMIC ACID, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
2BD0
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BU of 2bd0 by Molmil
Chlorobium tepidum Sepiapterin Reductase complexed with NADP and Sepiapterin
Descriptor: BIOPTERIN, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, sepiapterin reductase
Authors:Supangat, S, Seo, K.H, Choi, Y.K, Park, Y.S, Lee, K.H.
Deposit date:2005-10-19
Release date:2005-11-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Chlorobium tepidum sepiapterin reductase complex reveals the novel substrate binding mode for stereospecific production of L-threo-tetrahydrobiopterin
J.Biol.Chem., 281, 2006
2ESB
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BU of 2esb by Molmil
Crystal structure of human DUSP18
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, Dual specificity protein phosphatase 18
Authors:Kim, S.J, Ryu, S.E, Jeong, D.G, Cho, Y.H, Yoon, T.S, Kim, J.H.
Deposit date:2005-10-25
Release date:2006-06-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of human DSP18, a member of the dual-specificity protein tyrosine phosphatase family.
Acta Crystallogr.,Sect.D, 62, 2006
7KFZ
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BU of 7kfz by Molmil
Structure of a ternary KRas(G13D)-SOS complex
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Liu, C, Moghadamchargari, Z, Laganowsky, A, Zhao, M.
Deposit date:2020-10-15
Release date:2021-03-31
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Molecular assemblies of the catalytic domain of SOS with KRas and oncogenic mutants.
Proc.Natl.Acad.Sci.USA, 118, 2021
8Q6P
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BU of 8q6p by Molmil
X. laevis CMG dimer bound to dimeric DONSON - MCM ATPase
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DNA replication licensing factor mcm2, DNA replication licensing factor mcm4-B, ...
Authors:Butryn, A, Cvetkovic, M.A, Costa, A.
Deposit date:2023-08-14
Release date:2023-10-18
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:The structural mechanism of dimeric DONSON in replicative helicase activation.
Mol.Cell, 83, 2023
8Q6O
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BU of 8q6o by Molmil
X. laevis CMG dimer bound to dimeric DONSON - without ATPase
Descriptor: Cell division control protein 45 homolog, DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, ...
Authors:Butryn, A, Cvetkovic, M.A, Costa, A.
Deposit date:2023-08-14
Release date:2023-10-18
Last modified:2023-11-29
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:The structural mechanism of dimeric DONSON in replicative helicase activation.
Mol.Cell, 83, 2023
6RBC
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BU of 6rbc by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a inhibitor KB1157
Descriptor: (2~{S})-2-[[(2~{R})-2-[4-[(4-iodophenyl)carbonylamino]butanoylamino]-3-oxidanyl-3-oxidanylidene-propyl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Kutil, Z.
Deposit date:2019-04-10
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen.
J.Med.Chem., 63, 2020
7MSO
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BU of 7mso by Molmil
Crystal Structure of Polo Box Domain in Complex with Cyclic Peptide Inhibitor
Descriptor: Cyclic Peptide Inhibitor ZO1-GLN-SER-TPO-45W-MLL, Serine/threonine-protein kinase PLK1
Authors:Lim, D.C, Yaffe, M.B.
Deposit date:2021-05-11
Release date:2022-03-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel Macrocyclic Peptidomimetics Targeting the Polo-Box Domain of Polo-Like Kinase 1.
J.Med.Chem., 65, 2022
6S1X
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BU of 6s1x by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII)-E424M inactive mutant, in complex with a inhibitor KB1160
Descriptor: (2~{S})-2-[[(3~{S})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barinka, C, Kutil, Z.
Deposit date:2019-06-19
Release date:2020-05-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Novel beta- and gamma-Amino Acid-Derived Inhibitors of Prostate-Specific Membrane Antigen.
J.Med.Chem., 63, 2020
5ITS
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BU of 5its by Molmil
Crystal structure of LOG from Corynebacterium glutamicum
Descriptor: Cytokinin riboside 5'-monophosphate phosphoribohydrolase, GLYCEROL, PHOSPHATE ION
Authors:Seo, H.-G, Kim, K.-J.
Deposit date:2016-03-17
Release date:2016-08-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for cytokinin production by LOG from Corynebacterium glutamicum
Sci Rep, 6, 2016
4N45
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BU of 4n45 by Molmil
Crystal structure of reduced form of thiolase from Clostridium acetobutylicum
Descriptor: Acetyl-CoA acetyltransferase
Authors:Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J.
Deposit date:2013-10-08
Release date:2014-10-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insight into redox-switch regulatory mechanism of thiolase from the n-butanol synthesizing bacterium, Clostridium acetobutylicum
to be published
4N44
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BU of 4n44 by Molmil
Crystal structure of oxidized form of thiolase from Clostridium acetobutylicum
Descriptor: ACETATE ION, Acetyl-CoA acetyltransferase, GLYCEROL
Authors:Kim, S, Ha, S.C, Ahn, J.W, Kim, E.J, Lim, J.H, Kim, K.J.
Deposit date:2013-10-08
Release date:2014-10-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Structural insight into redox-switch regulatory mechanism of thiolase from the n-butanol synthesizing bacterium, Clostridium acetobutylicum
to be published
5JXD
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BU of 5jxd by Molmil
Crystal structure of murine Tnfaip8 C165S mutant
Descriptor: Tumor necrosis factor alpha-induced protein 8, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Park, J, Kim, M.S, Lee, D, Shin, D.H.
Deposit date:2016-05-13
Release date:2017-06-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.029 Å)
Cite:The Tnfaip8-PE complex is a novel upstream effector in the anti-autophagic action of insulin
Sci Rep, 7, 2017
4NYM
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BU of 4nym by Molmil
Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange
Descriptor: GTPase HRas, MAGNESIUM ION, N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]-L-tryptophanamide, ...
Authors:Burns, M.C, Sun, Q, Phan, J, Fesik, S.W.
Deposit date:2013-12-10
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5529 Å)
Cite:Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NYJ
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BU of 4nyj by Molmil
Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange
Descriptor: GTPase HRas, MAGNESIUM ION, N-[1-(1H-indol-3-ylmethyl)piperidin-4-yl]glycinamide, ...
Authors:Burns, M.C, Sun, Q, Phan, J, Fesik, S.W.
Deposit date:2013-12-10
Release date:2014-03-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8522 Å)
Cite:Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NYI
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BU of 4nyi by Molmil
Approach for Targeting Ras with Small Molecules that Activate SOS-Mediated Nucleotide Exchange
Descriptor: GTPase HRas, MAGNESIUM ION, N-{1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide, ...
Authors:Burns, M.C, Sun, Q, Phan, J, Fesik, S.W.
Deposit date:2013-12-10
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9612 Å)
Cite:Approach for targeting Ras with small molecules that activate SOS-mediated nucleotide exchange.
Proc.Natl.Acad.Sci.USA, 111, 2014
7BWL
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BU of 7bwl by Molmil
Structure of antibiotic sequester from Pseudomonas aerurinosa
Descriptor: UPF0312 protein PA0423, Ubiquinone-8
Authors:Hong, M.
Deposit date:2020-04-14
Release date:2020-12-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of the Pseudomonas aeruginosa PA0423 protein and its functional implication in antibiotic sequestration.
Biochem.Biophys.Res.Commun., 528, 2020
6V9N
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BU of 6v9n by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 4-phenoxybenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6V94
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BU of 6v94 by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6V9J
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BU of 6v9j by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6V9M
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BU of 6v9m by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
Descriptor: 4-fluoro-2-methyl-N-propylbenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
Authors:Phan, J, Fesik, S.W.
Deposit date:2019-12-13
Release date:2020-08-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020

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