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4PXI
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BU of 4pxi by Molmil
Elucidation of the Structural and Functional Mechanism of Action of the TetR Family Protein, CprB from S. coelicolor A3(2)
Descriptor: CprB, DNA (5'-D(*AP*CP*AP*TP*AP*CP*GP*GP*GP*AP*CP*GP*CP*CP*CP*CP*GP*TP*TP*TP*AP*T)-3'), DNA (5'-D(*AP*TP*AP*AP*AP*CP*GP*GP*GP*GP*CP*GP*TP*CP*CP*CP*GP*TP*AP*TP*GP*T)-3')
Authors:Hussain, B, Ruchika, B, Aruna, B, Ruchi, A.
Deposit date:2014-03-24
Release date:2014-07-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural and functional basis of transcriptional regulation by TetR family protein CprB from S. coelicolor A3(2)
Nucleic Acids Res., 42, 2014
4J5S
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BU of 4j5s by Molmil
TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1 ADP-ribose complex
Descriptor: 1,2-ETHANEDIOL, 1,3,2-DIOXABOROLAN-2-OL, BORATE ION, ...
Authors:Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S.
Deposit date:2013-02-09
Release date:2013-03-27
Last modified:2013-07-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease.
Embo J., 32, 2013
4J5Q
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BU of 4j5q by Molmil
TARG1 (C6orf130), Terminal ADP-ribose Glycohydrolase 1, apo structure
Descriptor: O-acetyl-ADP-ribose deacetylase 1
Authors:Schellenberg, M.J, Appel, C.D, Krahn, J, Williams, R.S.
Deposit date:2013-02-09
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Deficiency of terminal ADP-ribose protein glycohydrolase TARG1/C6orf130 in neurodegenerative disease.
Embo J., 32, 2013
4K6A
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BU of 4k6a by Molmil
Revised Crystal Structure of apo-form of Triosephosphate Isomerase (tpiA) from Escherichia coli at 1.8 Angstrom Resolution.
Descriptor: SODIUM ION, Triosephosphate isomerase
Authors:Minasov, G, Kuhn, M, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Grimshaw, S, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-04-15
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation.
PLoS ONE, 9, 2014
7NST
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BU of 7nst by Molmil
ColicinE9 partial translocation complex
Descriptor: Colicin-E9, Outer membrane protein F, Tol-Pal system protein TolB
Authors:Webby, M.N, Kleanthous, C, Lukoyanova, N, Housden, N.G.
Deposit date:2021-03-08
Release date:2021-08-11
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Porin threading drives receptor disengagement and establishes active colicin transport through Escherichia coli OmpF.
Embo J., 40, 2021
7NSU
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BU of 7nsu by Molmil
ColicinE9 intact translocation complex
Descriptor: Colicin-E9, Outer membrane protein F, Tol-Pal system protein TolB, ...
Authors:Webby, M.N, Kleanthous, C, Lukoyanova, N, Housden, N.G.
Deposit date:2021-03-08
Release date:2021-08-11
Last modified:2021-11-17
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Porin threading drives receptor disengagement and establishes active colicin transport through Escherichia coli OmpF.
Embo J., 40, 2021
6EZD
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BU of 6ezd by Molmil
Pyrrolysyl-tRNA synthetase from Canditatus Methanomethylophilus alvus (MmaPylRS)
Descriptor: Pyrrolysyl-tRNA synthetase
Authors:Pavkov-Keller, T, Schweiger, K, Gruber, K.
Deposit date:2017-11-15
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A new archaeal pyrrolysyl-tRNA synthetase/amber suppressor tRNA pair for orthogonal protein translation
to be published
6GWJ
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BU of 6gwj by Molmil
Human OSGEP / LAGE3 / GON7 complex
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, EKC/KEOPS complex subunit GON7, ...
Authors:Missoury, S, Liger, D, Durand, D, Collinet, B, Tilbeurgh, V.H.
Deposit date:2018-06-25
Release date:2019-07-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Defects in t 6 A tRNA modification due to GON7 and YRDC mutations lead to Galloway-Mowat syndrome.
Nat Commun, 10, 2019
3N2V
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BU of 3n2v by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-hydroxy-2-(N-hydroxyethyl)biphenyl-4-ylsulfonamido)acetamide
Descriptor: CALCIUM ION, Macrophage metalloelastase, N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide, ...
Authors:Calderone, V.
Deposit date:2010-05-19
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs).
Eur.J.Med.Chem., 45, 2010
3N2U
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BU of 3n2u by Molmil
Crystal structure of the catalytic domain of human MMP12 complexed with the inhibitor N-hydroxy-2-(4-methoxy-N(2-(3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)ethyl)phenylsulfonamido)acetamide
Descriptor: CALCIUM ION, Macrophage metalloelastase, N-hydroxy-2-{[(4-methoxyphenyl)sulfonyl](2-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}ethyl)amino}acetamide, ...
Authors:Calderone, V.
Deposit date:2010-05-19
Release date:2010-11-10
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs).
Eur.J.Med.Chem., 45, 2010
2E7Z
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BU of 2e7z by Molmil
Acetylene Hydratase from Pelobacter acetylenicus
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, ACETATE ION, ...
Authors:Einsle, O, Kroneck, P.M.H, Seiffert, G.B, Messerschmidt, A.
Deposit date:2007-01-15
Release date:2007-02-27
Last modified:2019-09-04
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Structure of the non-redox-active tungsten/[4Fe:4S] enzyme acetylene hydratase
Proc.Natl.Acad.Sci.Usa, 104, 2007
6YLI
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BU of 6yli by Molmil
Crystal structure of human bcl-xL bound to trichoplax adhaerens trBak BH3
Descriptor: Bcl-2 homologous antagonist/killer, Bcl-2-like protein 1, SULFATE ION
Authors:D Sa, J, Banjara, S, Kvansakul, M.
Deposit date:2020-04-07
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ancient and conserved functional interplay between Bcl-2 family proteins in the mitochondrial pathway of apoptosis.
Sci Adv, 6, 2020
6YLD
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BU of 6yld by Molmil
Crystal structure of Trichoplax adhaerens trBcl-2L2 bound to trBak BH3
Descriptor: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 1, ...
Authors:D Sa, J, Banjara, S, Kvansakul, M.
Deposit date:2020-04-07
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Ancient and conserved functional interplay between Bcl-2 family proteins in the mitochondrial pathway of apoptosis.
Sci Adv, 6, 2020
2V5U
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BU of 2v5u by Molmil
I92A FLAVODOXIN FROM ANABAENA
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVODOXIN
Authors:Martinez-Julvez, M, Herguedas, B, Frago, S, Serrano, A, Molina, R, Hamiaux, C, Schierbeek, B, Medina, M, Hermoso, J.A.
Deposit date:2007-07-10
Release date:2007-10-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Tuning of the Fmn Binding and Oxido-Reduction Properties by Neighboring Side Chains in Anabaena Flavodoxin.
Arch.Biochem.Biophys., 467, 2007
4XW2
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BU of 4xw2 by Molmil
Structural basis for simvastatin competitive antagonism of complement receptor 3
Descriptor: Integrin alpha-M, MAGNESIUM ION, Simvastatin acid
Authors:Bajic, G, Jensen, M.R, Vorup-Jensen, T, Andersen, G.R.
Deposit date:2015-01-28
Release date:2016-01-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Structural Basis for Simvastatin Competitive Antagonism of Complement Receptor 3.
J.Biol.Chem., 291, 2016
5O4L
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BU of 5o4l by Molmil
Crystal structure of P450 CYP121 in complex with compound 6a.
Descriptor: 1-[(4-fluorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.W.
Deposit date:2017-05-29
Release date:2018-03-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
5O4K
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BU of 5o4k by Molmil
Crystal structure of P450 CYP121 in complex with compound 6b.
Descriptor: 1-[(4-chlorophenyl)methyl]-4-(3-imidazol-1-ylpropyl)piperazin-2-one, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Levy, C.W.
Deposit date:2017-05-29
Release date:2018-03-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel Aryl Substituted Pyrazoles as Small Molecule Inhibitors of Cytochrome P450 CYP121A1: Synthesis and Antimycobacterial Evaluation.
J. Med. Chem., 60, 2017
5O7V
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BU of 5o7v by Molmil
Crystal structure of the 5F-tryptophan RSL lectin in complex with Lewis x tetrasaccharide
Descriptor: CHLORIDE ION, ETHANOL, Fucose-binding lectin protein, ...
Authors:Varrot, A.
Deposit date:2017-06-09
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Effect of Noncanonical Amino Acids on Protein-Carbohydrate Interactions: Structure, Dynamics, and Carbohydrate Affinity of a Lectin Engineered with Fluorinated Tryptophan Analogs.
ACS Chem. Biol., 13, 2018
5O7W
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BU of 5o7w by Molmil
Crystal structure of the 4-FLUORO RSL lectin in complex with Lewis x tetrasaccharide
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Putative fucose-binding lectin protein, ...
Authors:Varrot, A.
Deposit date:2017-06-09
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Effect of Noncanonical Amino Acids on Protein-Carbohydrate Interactions: Structure, Dynamics, and Carbohydrate Affinity of a Lectin Engineered with Fluorinated Tryptophan Analogs.
ACS Chem. Biol., 13, 2018
5O7U
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BU of 5o7u by Molmil
Crystal structure of the 7-Fluorotryptophan RSL lectin in complex with Lewis x tetrasaccharide
Descriptor: CALCIUM ION, MAGNESIUM ION, Putative fucose-binding lectin protein, ...
Authors:Varrot, A.
Deposit date:2017-06-09
Release date:2018-06-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Effect of Noncanonical Amino Acids on Protein-Carbohydrate Interactions: Structure, Dynamics, and Carbohydrate Affinity of a Lectin Engineered with Fluorinated Tryptophan Analogs.
ACS Chem. Biol., 13, 2018
5T4W
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BU of 5t4w by Molmil
Crystal structure of a DNA sequence d (CGTGAATTCACG) with DAPI
Descriptor: 6-AMIDINE-2-(4-AMIDINO-PHENYL)INDOLE, DNA (5'-D(*CP*GP*TP*GP*AP*AP*TP*TP*CP*AP*CP*G)-3')
Authors:Sbirkova, H, Schivachev, B.
Deposit date:2016-08-30
Release date:2017-08-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the DNA sequence d(CGTGAATTCACG)2 with DAPI.
Acta Crystallogr F Struct Biol Commun, 73, 2017
5N5K
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BU of 5n5k by Molmil
Human catalytic MMP-12 in complex with 5-(1,2-dithiolan-3-yl)-N-(3-hydroxypropyl)pentanamide
Descriptor: 5-[(3~{S})-1,2-dithiolan-3-yl]-~{N}-(3-oxidanylpropyl)pentanamide, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2017-02-14
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX).
J. Med. Chem., 60, 2017
6CKU
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BU of 6cku by Molmil
Solution structure of the zebrafish granulin AaE
Descriptor: Granulin-AaE
Authors:Wang, P, Ni, F.
Deposit date:2018-02-28
Release date:2018-06-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure dissection of zebrafish progranulins identifies a well-folded granulin/epithelin module protein with pro-cell survival activities.
Protein Sci., 27, 2018
5N5J
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BU of 5n5j by Molmil
Human MMP12 in complex with 3-(5-(1,2-dithiolan-3-yl)pentanamido)propane-1-sulfonate
Descriptor: 3-[5-[(3~{S})-1,2-dithiolan-3-yl]pentanoylamino]propane-1-sulfonic acid, ACETOHYDROXAMIC ACID, CALCIUM ION, ...
Authors:Calderone, V.
Deposit date:2017-02-14
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Lipoyl-Homotaurine Derivative (ADM_12) Reverts Oxaliplatin-Induced Neuropathy and Reduces Cancer Cells Malignancy by Inhibiting Carbonic Anhydrase IX (CAIX).
J. Med. Chem., 60, 2017
4MVA
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BU of 4mva by Molmil
1.43 Angstrom Resolution Crystal Structure of Triosephosphate Isomerase (tpiA) from Escherichia coli in Complex with Acetyl Phosphate.
Descriptor: 1,2-ETHANEDIOL, ACETYLPHOSPHATE, CHLORIDE ION, ...
Authors:Minasov, G, Kuhn, M.L, Dubrovska, I, Winsor, J, Shuvalova, L, Grimshaw, S, Kwon, K, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2013-09-23
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structural, kinetic and proteomic characterization of acetyl phosphate-dependent bacterial protein acetylation.
Plos One, 9, 2014

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