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6XKB
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BU of 6xkb by Molmil
Crystal structure of SR-related and CTD-associated factor 4(SCAF4-CID)with peptide S2,S5p-CTD
Descriptor: S2,S5p-CTD peptide, SR-related and CTD-associated factor 4, UNKNOWN ATOM OR ION
Authors:Zhou, M.Q, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2020-06-26
Release date:2021-01-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the recognition of the S2, S5-phosphorylated RNA polymerase II CTD by the mRNA anti-terminator protein hSCAF4.
Febs Lett., 596, 2022
6M1J
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BU of 6m1j by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x
Descriptor: 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2020-02-26
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
6M1S
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BU of 6m1s by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o
Descriptor: 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2020-02-26
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
7MWH
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BU of 7mwh by Molmil
Crystal structure of BAZ2A with DNA
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, DNA (5'-D(*CP*GP*GP*AP*AP*TP*GP*TP*AP*GP*GP*C)-3'), DNA (5'-D(*GP*CP*CP*TP*AP*(5CM)P*AP*TP*TP*CP*CP*G)-3'), ...
Authors:Liu, K, Dong, A, Li, Y, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2021-05-17
Release date:2022-08-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of the BAZ2B TAM domain.
Heliyon, 8, 2022
7FJP
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BU of 7fjp by Molmil
Cryo EM structure of lysosomal ATPase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Zhang, S.S.
Deposit date:2021-08-04
Release date:2023-03-08
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures and transport mechanism of human P5B type ATPase ATP13A2.
Cell Discov, 7, 2021
7FJQ
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BU of 7fjq by Molmil
Cryo EM structure of lysosomal ATPase
Descriptor: Polyamine-transporting ATPase 13A2, SPERMINE
Authors:Zhang, S.S.
Deposit date:2021-08-04
Release date:2023-03-08
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structures and transport mechanism of human P5B type ATPase ATP13A2.
Cell Discov, 7, 2021
4FZ7
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BU of 4fz7 by Molmil
Crystal structure of spleen tyrosine kinase complexed with 6-((1R,2S)-2-Amino-cyclohexylamino)-4-(6-ethyl-pyridin-2-ylamino)-pyridazine-3-carboxylic acid amide
Descriptor: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(6-ethylpyridin-2-yl)amino]pyridazine-3-carboxamide, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Slade, M.
Deposit date:2012-07-06
Release date:2013-07-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Using ovality to predict nonmutagenic, orally efficacious pyridazine amides as cell specific spleen tyrosine kinase inhibitors.
J. Med. Chem., 57, 2014
3HR5
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BU of 3hr5 by Molmil
M1prime peptide from IgE bound by humanized antibody 47H4 Fab
Descriptor: Fab h47H4 heavy chain, Fab h47H4 light chain, GLYCEROL, ...
Authors:Eigenbrot, C.W, Ultsch, M.H.
Deposit date:2009-06-08
Release date:2010-05-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Antibodies specific for a segment of human membrane IgE deplete IgE-producing B cells in humanized mice.
J.Clin.Invest., 120, 2010
4GFG
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BU of 4gfg by Molmil
Crystal structure of spleen tyrosine kinase complexed with r9021
Descriptor: 6-{[(1R,2S)-2-aminocyclohexyl]amino}-4-[(5,6-dimethylpyridin-2-yl)amino]pyridazine-3-carboxamide, Tyrosine-protein kinase SYK
Authors:Lukacs, C, Slade, M.
Deposit date:2012-08-03
Release date:2013-08-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:A specific SYK inhibitor blocks B Cell Receptor, Fc Receptor, and Toll-like Receptor 9 pathways for the treatment of inflammatory diseases.
To be Published
9BXA
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BU of 9bxa by Molmil
Structure of Mnx H340A complex from Bacillus sp. PL-12
Descriptor: MnxE, MnxF, MnxG
Authors:Novikova, I.V, Evans, J.E.
Deposit date:2024-05-22
Release date:2024-08-07
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.37 Å)
Cite:Cryo-EM Structure of the Mnx Protein Complex Reveals a Tunnel Framework for the Mechanism of Manganese Biomineralization.
J.Am.Chem.Soc., 146, 2024
3C8G
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BU of 3c8g by Molmil
Crystal structure of a possible transciptional regulator YggD from Shigella flexneri 2a str. 2457T
Descriptor: ACETATE ION, Putative transcriptional regulator
Authors:Tan, K, Borovilos, M, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-02-12
Release date:2008-02-19
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The mannitol operon repressor MtlR belongs to a new class of transcription regulators in bacteria.
J.Biol.Chem., 284, 2009
3DWH
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BU of 3dwh by Molmil
Structural and Functional Analysis of SRA domain
Descriptor: E3 ubiquitin-protein ligase UHRF1, GLYCEROL, SULFATE ION
Authors:Qian, C, Jakoncic, J, Zhou, M.
Deposit date:2008-07-22
Release date:2008-10-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and Hemimethylated CpG Binding of the SRA Domain from Human UHRF1.
J.Biol.Chem., 283, 2008
6BPH
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BU of 6bph by Molmil
Crystal structure of the chromodomain of RBBP1
Descriptor: AT-rich interactive domain-containing protein 4A, UNKNOWN ATOM OR ION
Authors:Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-11-23
Release date:2017-12-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of chromo barrel domain of RBBP1.
Biochem. Biophys. Res. Commun., 496, 2018
6NFN
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BU of 6nfn by Molmil
Fab fragment of anti-cocaine antibody h2E2 bound to benzoylecgonine
Descriptor: 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID, ACETATE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Pokkuluri, P.R, Tan, K.
Deposit date:2018-12-20
Release date:2019-11-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Structural analysis of free and liganded forms of the Fab fragment of a high-affinity anti-cocaine antibody, h2E2.
Acta Crystallogr.,Sect.F, 75, 2019
6NEX
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BU of 6nex by Molmil
Fab fragment of anti-cocaine antibody h2E2
Descriptor: ACETATE ION, Anitgen binding fragment light chain, Antigen binding fragment heavy chain, ...
Authors:Pokkuluri, P.R, Tan, K.
Deposit date:2018-12-18
Release date:2019-11-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural analysis of free and liganded forms of the Fab fragment of a high-affinity anti-cocaine antibody, h2E2.
Acta Crystallogr.,Sect.F, 75, 2019
5GMZ
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BU of 5gmz by Molmil
Hepatitis B virus core protein Y132A mutant in complex with 4-methyl heteroaryldihydropyrimidine
Descriptor: (2S)-4,4-difluoro-1-[[(4S)-4-(4-fluorophenyl)-5-methoxycarbonyl-4-methyl-2-(1,3-thiazol-2-yl)-1H-pyrimidin-6-yl]methyl]pyrrolidine-2-carboxylic acid, CHLORIDE ION, Core protein, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2016-07-18
Release date:2016-08-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design and Synthesis of Orally Bioavailable 4-Methyl Heteroaryldihydropyrimidine Based Hepatitis B Virus (HBV) Capsid Inhibitors
J.Med.Chem., 59, 2016
1YB4
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BU of 1yb4 by Molmil
Crystal Structure of the Tartronic Semialdehyde Reductase from Salmonella typhimurium LT2
Descriptor: tartronic semialdehyde reductase
Authors:Kim, Y, Wu, R, Collart, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2004-12-20
Release date:2005-02-01
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray crystal structure of GarR-tartronate semialdehyde reductase from Salmonella typhimurium.
J Struct Funct Genomics, 10, 2009
1YQH
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BU of 1yqh by Molmil
Structure of domain of unknown function DUF77 from Bacillus cereus
Descriptor: IG hypothetical 16092
Authors:Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-02-01
Release date:2005-03-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of domain of unknown function DUF77 from Bacillus cereus
To be Published
5XTA
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BU of 5xta by Molmil
Crystal structure of lpg1832, a VirK family protein from Legionella pneumophila
Descriptor: GLYCEROL, SULFATE ION, VirK protein
Authors:Yin, S, Gong, X, Zhang, N, Ge, H.
Deposit date:2017-06-18
Release date:2017-08-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of lpg1832, a VirK family protein from Legionella pneumophila, reveals a novel fold for bacterial VirK proteins
FEBS Lett., 591, 2017
5X5Y
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BU of 5x5y by Molmil
A membrane protein complex
Descriptor: Probable ATP-binding component of ABC transporter, Uncharacterized protein
Authors:Luo, Q, Yang, X, Huang, Y.
Deposit date:2017-02-18
Release date:2017-04-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.465 Å)
Cite:Structural basis for lipopolysaccharide extraction by ABC transporter LptB2FG
Nat. Struct. Mol. Biol., 24, 2017
4I0T
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BU of 4i0t by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(5,6,7,8-Tetrahydro-imidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid tert-butylamide
Descriptor: N-tert-butyl-2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Slade, M.
Deposit date:2012-11-19
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
4I0S
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BU of 4i0s by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(6-Chloro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
Descriptor: 2-(6-chloro-1-methyl-1H-indazol-3-yl)-N-(propan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Slade, M.
Deposit date:2012-11-19
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
4I0R
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BU of 4i0r by Molmil
Crystal structure of spleen tyrosine kinase complexed with 2-(3,4,5-Trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
Descriptor: N-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide, Tyrosine-protein kinase SYK
Authors:Kuglstatter, A, Villasenor, A.G.
Deposit date:2012-11-19
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyrrolopyrazines as selective spleen tyrosine kinase inhibitors.
J.Med.Chem., 56, 2013
6XCG
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BU of 6xcg by Molmil
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound UNC6934
Descriptor: Histone-lysine N-methyltransferase NSD2, N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide, UNKNOWN ATOM OR ION
Authors:Zhou, M.Q, Dong, A, Ingerman, L.A, Hanley, R.P, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2020-06-08
Release date:2020-07-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:A chemical probe targeting the PWWP domain alters NSD2 nucleolar localization.
Nat.Chem.Biol., 18, 2022
2QUK
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BU of 2quk by Molmil
Crystal structures of human tryptophanyl-tRNA synthetase in complex with ATP(putative)
Descriptor: Tryptophanyl-tRNA synthetase
Authors:Shen, N, Ding, J.P.
Deposit date:2007-08-06
Release date:2008-04-29
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Catalytic mechanism of the tryptophan activation reaction revealed by crystal structures of human tryptophanyl-tRNA synthetase in different enzymatic states
Nucleic Acids Res., 36, 2008

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