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8I8R
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BU of 8i8r by Molmil
Cryo-EM Structure of OmpC3-MlaA Complex in MSP2N2 Nanodiscs
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, Intermembrane phospholipid transport system lipoprotein MlaA, Outer membrane porin C
Authors:Yeow, J, Luo, M, Chng, S.S.
Deposit date:2023-02-05
Release date:2023-12-20
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Molecular mechanism of phospholipid transport at the bacterial outer membrane interface.
Nat Commun, 14, 2023
8I8X
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BU of 8i8x by Molmil
Cryo-EM Structure of OmpC3-MlaA-MlaC Complex in MSP2N2 Nanodiscs
Descriptor: (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[(2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-carboxy-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(3~{R})-3-dodecanoyloxytetradecanoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(3~{R})-3-oxidanyltetradecanoyl]amino]-4-[(3~{R})-3-oxidanyltetradecanoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(3~{R})-3-tetradecanoyloxytetradecanoyl]oxy-oxan-2-yl]methoxy]-5-oxidanyl-oxan-4-yl]oxy-4,5-bis(oxidanyl)oxane-2-carboxylic acid, Intermembrane phospholipid transport system binding protein MlaC, Intermembrane phospholipid transport system lipoprotein MlaA, ...
Authors:Yeow, J, Luo, M, Chng, S.S.
Deposit date:2023-02-05
Release date:2023-12-20
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Molecular mechanism of phospholipid transport at the bacterial outer membrane interface.
Nat Commun, 14, 2023
1DZ5
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BU of 1dz5 by Molmil
The NMR structure of the 38KDa U1A protein-PIE RNA complex reveals the basis of cooperativity in regulation of polyadenylation by human U1A protein
Descriptor: PIE, RNA (5'-R(*GP*AP*GP*AP*CP*AP*UP*UP*GP*CP*AP*CP*CP* CP*GP*GP*AP*GP*UP*CP*UP*C)-3'), U1 SMALL NUCLEAR RIBONUCLEOPROTEIN A
Authors:Varani, L, Gunderson, S.I, Mattaj, I.W, Kay, L.E, Neuhaus, D, Varani, G.
Deposit date:2000-02-16
Release date:2000-03-29
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:The NMR Structure of the 38kDa U1A Protein-Pie RNA Complex Reveals the Basis of Cooperativity in Regulation of Polyadenylation by Human U1A Protein
Nat.Struct.Biol., 7, 2000
8DJ4
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BU of 8dj4 by Molmil
NMR Solution Structure of C-terminally amidated, Full-length Human Galanin
Descriptor: Galanin
Authors:Wilkinson, R.E, Kraichely, K.N, Buchanan, L.E, Parnham, S, Giuliano, M.W.
Deposit date:2022-06-30
Release date:2022-08-24
Last modified:2022-09-07
Method:SOLUTION NMR
Cite:The neuropeptide galanin adopts an irregular secondary structure.
Biochem.Biophys.Res.Commun., 626, 2022
2C8H
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BU of 2c8h by Molmil
Structure of the PN loop Q182A mutant C3bot1 Exoenzyme (NAD-bound state, crystal form I)
Descriptor: MONO-ADP-RIBOSYLTRANSFERASE C3, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION
Authors:Stura, E.A, Menetrey, J, Flatau, G, Boquet, P, Menez, A.
Deposit date:2005-12-03
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Properties of Wild-Type and Two Artt Motif Mutants Clostridium Botulinum C3 Exoenzyme Isoform 1 in Different Substrate Complexed States and Crystal Forms.
To be Published
2I87
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BU of 2i87 by Molmil
Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies
Descriptor: D-alanine-D-alanine ligase, SULFATE ION
Authors:Liu, S, Chang, J.S, Herberg, J.T, Horng, M, Tomich, P.K, Lin, A.H, Marotti, K.R.
Deposit date:2006-09-01
Release date:2006-10-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric inhibition of Staphylococcus aureus D-alanine:D-alanine ligase revealed by crystallographic studies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2ZSF
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BU of 2zsf by Molmil
Pantothenate kinase from Mycobacterium tuberculosis (MtPanK) in complex with ATP and ADP
Descriptor: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chetnani, B, Das, S, Kumar, P, Surolia, A, Vijayan, M.
Deposit date:2008-09-05
Release date:2009-07-21
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mycobacterium tuberculosis pantothenate kinase: possible changes in location of ligands during enzyme action
Acta Crystallogr.,Sect.D, 65, 2009
4PTH
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BU of 4pth by Molmil
Ensemble model for Escherichia coli dihydrofolate reductase at 100K
Descriptor: Dihydrofolate reductase, FOLIC ACID, MANGANESE (II) ION, ...
Authors:Keedy, D.A, van den Bedem, H, Sivak, D.A, Petsko, G.A, Ringe, D, Wilson, M.A, Fraser, J.S.
Deposit date:2014-03-10
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:Crystal Cryocooling Distorts Conformational Heterogeneity in a Model Michaelis Complex of DHFR.
Structure, 22, 2014
6O6G
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BU of 6o6g by Molmil
Co-crystal structure of Mcl1 with inhibitor
Descriptor: (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Huang, X.
Deposit date:2019-03-06
Release date:2019-05-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
1T6B
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BU of 1t6b by Molmil
Crystal structure of B. anthracis Protective Antigen complexed with human Anthrax toxin receptor
Descriptor: Anthrax toxin receptor 2, CALCIUM ION, MANGANESE (II) ION, ...
Authors:Santelli, E, Bankston, L.A, Leppla, S.H, Liddington, R.C.
Deposit date:2004-05-05
Release date:2004-07-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of a complex between anthrax toxin and its host cell receptor
Nature, 430, 2004
2ZJZ
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BU of 2zjz by Molmil
Structure of the K349P mutant of Gi alpha 1 subunit bound to GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i), alpha-1 subunit
Authors:Morikawa, T, Muroya, A, Sugio, S, Wakamatsu, K, Kohno, T.
Deposit date:2008-03-11
Release date:2009-03-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:How GPCRs activate G proteins: Structural changes from C-terminal tail to GDP binding pocket
To be Published
8SH7
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BU of 8sh7 by Molmil
TUBB4B and TUBA1A Heterodimer from Human Respiratory Doublet Microtubules
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Anderson, J.R, Gui, M, Brown, A.
Deposit date:2023-04-13
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:TUBB4B variants specifically impact ciliary function, causing a ciliopathic spectrum
To Be Published
2JHM
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BU of 2jhm by Molmil
Structure of globular heads of M-ficolin at neutral pH
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, FICOLIN-1, ...
Authors:Garlatti, V, Martin, L, Gout, E, Reiser, J.B, Arlaud, G.J, Thielens, N.M, Gaboriaud, C.
Deposit date:2007-02-22
Release date:2007-10-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structural Basis for Innate Immune Sensing by M-Ficolin and its Control by a Ph-Dependent Conformational Switch.
J.Biol.Chem., 282, 2007
8ROZ
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BU of 8roz by Molmil
Cryo-EM structure of CDK2-cyclin A in complex with CDC25A
Descriptor: Cyclin-A2, Cyclin-dependent kinase 2, M-phase inducer phosphatase 1
Authors:Rowland, R.J, Noble, M.E.M, Endicott, J.A.
Deposit date:2024-01-12
Release date:2024-05-29
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structure of the CDK2-cyclin A-CDC25A complex.
Nat Commun, 15, 2024
2JI5
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BU of 2ji5 by Molmil
Structure of UMP kinase from Pyrococcus furiosus complexed with UTP
Descriptor: URIDINE 5'-TRIPHOSPHATE, URIDYLATE KINASE
Authors:Marco-Marin, C, Rubio, V.
Deposit date:2007-02-26
Release date:2007-10-16
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Structure of Ump Kinase from Pyrococcus Furiosus Complexed with Utp
To be Published
1FMW
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BU of 1fmw by Molmil
CRYSTAL STRUCTURE OF THE MGATP COMPLEX FOR THE MOTOR DOMAIN OF DICTYOSTELIUM MYOSIN II
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MYOSIN II HEAVY CHAIN
Authors:Bauer, C.B, Holden, H.M, Thoden, J.B, Smith, R, Rayment, I.
Deposit date:2000-08-18
Release date:2000-11-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:X-ray structures of the apo and MgATP-bound states of Dictyostelium discoideum myosin motor domain.
J.Biol.Chem., 275, 2000
6OVC
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BU of 6ovc by Molmil
hMcl1 inhibitor complex
Descriptor: (2S)-N-(benzylsulfonyl)-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1
Authors:Poppe, L.
Deposit date:2019-05-07
Release date:2019-05-22
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:AMG 176, a Selective MCL1 Inhibitor, Is Effective in Hematologic Cancer Models Alone and in Combination with Established Therapies.
Cancer Discov, 8, 2018
6S2O
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BU of 6s2o by Molmil
Granulovirus occlusion bodies by serial electron diffraction
Descriptor: Granulin
Authors:Buecker, R, Mehrabi, P, Schulz, E.C, Hogan-Lamarre, P.
Deposit date:2019-06-21
Release date:2020-04-29
Last modified:2020-11-18
Method:ELECTRON CRYSTALLOGRAPHY (1.55 Å)
Cite:Serial protein crystallography in an electron microscope.
Nat Commun, 11, 2020
4OK3
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BU of 4ok3 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
2Y7C
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BU of 2y7c by Molmil
Atomic model of the Ocr-bound methylase complex from the Type I restriction-modification enzyme EcoKI (M2S1). Based on fitting into EM map 1534.
Descriptor: GENE 0.3 PROTEIN, TYPE I RESTRICTION ENZYME ECOKI M PROTEIN, TYPE-1 RESTRICTION ENZYME ECOKI SPECIFICITY PROTEIN
Authors:Kennaway, C.K, Obarska-Kosinska, A, White, J.H, Tuszynska, I, Cooper, L.P, Bujnicki, J.M, Trinick, J, Dryden, D.T.F.
Deposit date:2011-01-31
Release date:2011-02-09
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (18 Å)
Cite:The Structure of M.Ecoki Type I DNA Methyltransferase with a DNA Mimic Antirestriction Protein.
Nucleic Acids Res., 37, 2009
4OK6
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BU of 4ok6 by Molmil
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 13 [[1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
Descriptor: CALCIUM ION, Serine protease NS3, [1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid
Authors:Padyana, A.K.
Deposit date:2014-01-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus.
J.Med.Chem., 57, 2014
6S2N
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BU of 6s2n by Molmil
Hen egg-white lysozyme by serial electron diffraction
Descriptor: Lysozyme C
Authors:Buecker, R, Mehrabi, P, Schulz, E.C, Hogan-Lamarre, P.
Deposit date:2019-06-21
Release date:2020-04-29
Last modified:2020-11-18
Method:ELECTRON CRYSTALLOGRAPHY (1.8 Å)
Cite:Serial protein crystallography in an electron microscope.
Nat Commun, 11, 2020
2YH5
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BU of 2yh5 by Molmil
Structure of the C-terminal domain of BamC
Descriptor: DAPX PROTEIN, PHOSPHATE ION
Authors:Zeth, K, Albrecht, R.
Deposit date:2011-04-27
Release date:2011-05-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structural Basis of Outer Membrane Protein Biogenesis in Bacteria.
J.Biol.Chem., 286, 2011
4OQ7
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BU of 4oq7 by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2014-02-07
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
2ELG
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BU of 2elg by Molmil
The rare crystallographic structure of d(CGCGCG)2: The natural spermidine molecule bound to the minor groove of left-handed Z-DNA d(CGCGCG)2 at 10 degree celsius
Descriptor: DNA (5'-D(*DCP*DGP*DCP*DGP*DCP*DG)-3'), MAGNESIUM ION, SODIUM ION, ...
Authors:Ohishi, H, Tozuka, Y, Zhou, D.Y, Ishida, T, Nakatani, K.
Deposit date:2007-03-27
Release date:2008-04-01
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1 Å)
Cite:The rare crystallographic structure of d(CGCGCG)(2): The natural spermidine molecule bound to the minor groove of left-handed Z-DNA d(CGCGCG)(2) at 10 degrees C
Biochem.Biophys.Res.Commun., 358, 2007

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