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1MPA
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BU of 1mpa by Molmil
BACTERICIDAL ANTIBODY AGAINST NEISSERIA MENINGITIDIS
Descriptor: CADMIUM ION, MN12H2 IGG2A-KAPPA, PORA P1.16 PEPTIDE FLUORESCEIN CONJUGATE
Authors:Van Den Elsen, J.M.H, Herron, J.N, Kroon, J, Gros, P.
Deposit date:1997-02-26
Release date:1997-09-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Bactericidal antibody recognition of a PorA epitope of Neisseria meningitidis: crystal structure of a Fab fragment in complex with a fluorescein-conjugated peptide.
Proteins, 29, 1997
7UL4
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BU of 7ul4 by Molmil
CryoEM Structure of Inactive MOR Bound to Alvimopan and Mb6
Descriptor: Megabody 6, Mu-type opioid receptor, N-[(2S)-2-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]methyl}-3-phenylpropanoyl]glycine
Authors:Robertson, M.J, Skiniotis, G.
Deposit date:2022-04-03
Release date:2022-06-29
Last modified:2022-12-28
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure determination of inactive-state GPCRs with a universal nanobody.
Nat.Struct.Mol.Biol., 29, 2022
3HNC
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BU of 3hnc by Molmil
Crystal structure of human ribonucleotide reductase 1 bound to the effector TTP
Descriptor: MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, SULFATE ION, ...
Authors:Fairman, J.W, Wijerathna, S.R, Xu, H, Dealwis, C.G.
Deposit date:2009-05-31
Release date:2011-02-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structural basis for allosteric regulation of human ribonucleotide reductase by nucleotide-induced oligomerization.
Nat.Struct.Mol.Biol., 18, 2011
1MGO
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BU of 1mgo by Molmil
Horse Liver Alcohol Dehydrogenase Phe93Ala Mutant
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol Dehydrogenase E chain, ...
Authors:Rubach, J.K, Plapp, B.V.
Deposit date:2002-08-15
Release date:2002-11-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Mobility of Fluorobenzyl Alcohols Bound to Liver Alcohol Dehydrogenases as Determined by NMR and X-ray Crystallographic Studies
Biochemistry, 41, 2002
8BFU
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Crystal structure of the apo p110alpha catalytic subunit from homo sapiens
Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Authors:Gong, G.Q, Bellini, D, Vanhaesebroeck, B, Williams, R.L.
Deposit date:2022-10-26
Release date:2023-02-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:A small-molecule PI3K alpha activator for cardioprotection and neuroregeneration.
Nature, 618, 2023
8BP8
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BU of 8bp8 by Molmil
SPA of Trypsin untreated Rotavirus TLP spike
Descriptor: CALCIUM ION, Inner capsid protein VP2, Intermediate capsid protein VP6, ...
Authors:Shah, P.N.M, Stuart, D.I.
Deposit date:2022-11-16
Release date:2023-04-05
Last modified:2023-04-26
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Characterization of the rotavirus assembly pathway in situ using cryoelectron tomography.
Cell Host Microbe, 31, 2023
8BB8
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BU of 8bb8 by Molmil
Crystal structure of human aldehyde dehydrogenase ALDH3A1 in complex with octanal
Descriptor: ACETATE ION, Aldehyde dehydrogenase, dimeric NADP-preferring, ...
Authors:Schwartz, M, Neiers, F.
Deposit date:2022-10-12
Release date:2023-04-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Characterization of human oxidoreductases involved in aldehyde odorant metabolism.
Sci Rep, 13, 2023
3K8D
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BU of 3k8d by Molmil
Crystal structure of E. coli lipopolysaccharide specific CMP-KDO synthetase in complex with CTP and 2-deoxy-Kdo
Descriptor: 3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid, 3-deoxy-manno-octulosonate cytidylyltransferase, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Heyes, D.J, Levy, C.W, Lafite, P, Scrutton, N.S, Leys, D.
Deposit date:2009-10-14
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based mechanism of CMP-2-keto-3-deoxymanno-octulonic acid synthetase: convergent evolution of a sugar-activating enzyme with DNA/RNA polymerases
J.Biol.Chem., 284, 2009
8BJT
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Structure of human PLK1 in complex with 2-Allyl-1-[6-(1-hydroxy-1-methyl-ethyl)-pyridin-2-yl]-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
Descriptor: 1-[6-(2-hydroxypropan-2-yl)pyridin-2-yl]-6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one, ACETATE ION, Serine/threonine-protein kinase PLK1, ...
Authors:Musil, D, Liu-Bujalski, L.
Deposit date:2022-11-06
Release date:2023-04-26
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.188 Å)
Cite:Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
1MND
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BU of 1mnd by Molmil
TRUNCATED HEAD OF MYOSIN FROM DICTYOSTELIUM DISCOIDEUM COMPLEXED WITH MGADP-ALF4
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, MYOSIN, ...
Authors:Smith, C.A, Rayment, I.
Deposit date:1995-04-15
Release date:1996-08-17
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:X-ray structures of the myosin motor domain of Dictyostelium discoideum complexed with MgADP.BeFx and MgADP.AlF4-.
Biochemistry, 34, 1995
8B8E
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BU of 8b8e by Molmil
Wild-type GH11 from Blastobotrys mokoenaii
Descriptor: 1,2-ETHANEDIOL, BmGH11, DI(HYDROXYETHYL)ETHER, ...
Authors:Coleman, T, Ravn, J.L, Larsbrink, J.
Deposit date:2022-10-04
Release date:2023-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Yeasts Have Evolved Divergent Enzyme Strategies To Deconstruct and Metabolize Xylan.
Microbiol Spectr, 11, 2023
8BJU
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BU of 8bju by Molmil
HUMAN WEE1 KINASE IN COMPLEX WITH INHIBITOR 1-[6-(1-Hydroxy-1-methyl-ethyl)-pyridin-2-yl]-2-(2-methoxy-phenyl)-6-[4-(4-methyl-piperazin-1-yl)-phenylamino]-1,2-dihydro-pyrazolo[3,4-d]pyrimidin-3-one
Descriptor: 2-(2-methoxyphenyl)-6-[[4-(4-methylpiperazin-1-yl)phenyl]amino]-1-[6-(2-oxidanylpropan-2-yl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-3-one, Wee1-like protein kinase
Authors:Musil, D, Lan, R.
Deposit date:2022-11-06
Release date:2023-05-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Selective Wee1 Inhibitors Led to Antitumor Activity In Vitro and Correlated with Myelosuppression.
Acs Med.Chem.Lett., 14, 2023
5Z5K
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BU of 5z5k by Molmil
Structure of the DCC-Draxin complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Draxin, ...
Authors:Liu, Y, Xiao, J, Wang, J.
Deposit date:2018-01-18
Release date:2018-06-20
Last modified:2021-03-10
Method:X-RAY DIFFRACTION (2.493 Å)
Cite:Structural Basis for Draxin-Modulated Axon Guidance and Fasciculation by Netrin-1 through DCC.
Neuron, 97, 2018
1MG5
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BU of 1mg5 by Molmil
Crystal structure of Drosophila melanogaster alcohol dehydrogenase complexed with NADH and acetate at 1.6 A
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ACETATE ION, alcohol dehydrogenase
Authors:Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R.
Deposit date:2002-08-14
Release date:2003-10-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Drosophila alcohol dehydrogenase: acetate-enzyme interactions and novel insights into the effects of electrostatics on catalysis
J.Mol.Biol., 345, 2005
3HWI
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BU of 3hwi by Molmil
Crystal structure of probable thiosulfate sulfurtransferase Cysa2 (Rhodanese-like protein) from Mycobacterium tuberculosis
Descriptor: Thiosulfate sulfurtransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-06-17
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
8BVH
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BU of 8bvh by Molmil
Cryo-EM structure of the Hfq-Crc-amiE translation repression assembly.
Descriptor: Catabolite repression control protein, RNA-binding protein Hfq, amiE
Authors:Dendooven, T, Luisi, B.F.
Deposit date:2022-12-03
Release date:2023-06-07
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Translational regulation by Hfq-Crc assemblies emerges from polymorphic ribonucleoprotein folding.
Embo J., 42, 2023
3HWD
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BU of 3hwd by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) K125A-K134A mutant complexed with Ferric Enterobactin
Descriptor: Neutrophil gelatinase-associated lipocalin, SODIUM ION
Authors:Clifton, M.C.
Deposit date:2009-06-17
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
1MG0
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BU of 1mg0 by Molmil
Horse Liver Alcohol Dehydrogenase Complexed With NAD+ and 2,3-Difluorobenzyl Alcohol
Descriptor: 2,3-DIFLUOROBENZYL ALCOHOL, Alcohol Dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Rubach, J.K, Plapp, B.V.
Deposit date:2002-08-14
Release date:2002-11-13
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mobility of Fluorobenzyl Alcohols Bound to Liver Alcohol Dehydrogenases as Determined by NMR and X-ray Crystallographic Studies
Biochemistry, 41, 2002
5YU9
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BU of 5yu9 by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with Ibrutinib
Descriptor: 1-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}prop-2-en-1-one, CHLORIDE ION, Epidermal growth factor receptor
Authors:Yan, X.E, Yun, C.H.
Deposit date:2017-11-21
Release date:2017-12-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Ibrutinib targets mutant-EGFR kinase with a distinct binding conformation.
Oncotarget, 7, 2016
8BTB
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BU of 8btb by Molmil
Hexameric human IgG3 Fc complex
Descriptor: FLJ00385 protein (Fragment)
Authors:Abendstein, L, Sharp, T.H.
Deposit date:2022-11-28
Release date:2023-06-21
Last modified:2023-07-19
Method:ELECTRON MICROSCOPY (14 Å)
Cite:Complement is activated by elevated IgG3 hexameric platforms and deposits C4b onto distinct antibody domains.
Nat Commun, 14, 2023
3HUO
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BU of 3huo by Molmil
X-ray crystallographic structure of CTX-M-9 S70G in complex with benzylpenicillin
Descriptor: (2R,4S)-2-{(R)-carboxy[(phenylacetyl)amino]methyl}-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, CTX-M-9 extended-spectrum beta-lactamase, PENICILLIN G
Authors:Delmas, J, Leyssene, D, Dubois, D, Robin, F, Bonnet, R.
Deposit date:2009-06-15
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Dynamic view of the early and late steps of the catalytic mechanism mediated by the emerging enzymes CTX-M.
To be Published
3HVI
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BU of 3hvi by Molmil
Rat catechol O-methyltransferase in complex with a catechol-type, N6-ethyladenine-containing bisubstrate inhibitor
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, CHLORIDE ION, Catechol O-methyltransferase, ...
Authors:Ehler, A, Schlatter, D, Stihle, M, Benz, J, Rudolph, M.G.
Deposit date:2009-06-16
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Molecular recognition at the active site of catechol-o-methyltransferase: energetically favorable replacement of a water molecule imported by a bisubstrate inhibitor.
Angew.Chem.Int.Ed.Engl., 48, 2009
3HWE
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BU of 3hwe by Molmil
Crystal structure of Siderocalin (NGAL, Lipocalin 2) complexed with Fe-BisHaCam
Descriptor: FE (III) ION, GLYCEROL, Neutrophil gelatinase-associated lipocalin, ...
Authors:Clifton, M.C.
Deposit date:2009-06-17
Release date:2010-06-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Parsing the functional specificity of Siderocalin / Lipocalin 2 / NGAL for siderophores and related small-molecule ligands
To be Published
5ZDP
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BU of 5zdp by Molmil
Crystal structure of cyanide-insensitive alternative oxidase from Trypanosoma brucei with ferulenol
Descriptor: 4-oxidanyl-3-[(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-trienyl]chromen-2-one, Alternative oxidase, mitochondrial, ...
Authors:Shiba, T, Inaoka, D.K, Takahashi, G, Tsuge, C, Kido, Y, Young, L, Ueda, S, Balogun, E.O, Nara, T, Honma, T, Tanaka, A, Inoue, M, Saimoto, H, Harada, S, Moore, A.L, Kita, K.
Deposit date:2018-02-23
Release date:2019-02-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Insights into the ubiquinol/dioxygen binding and proton relay pathways of the alternative oxidase.
Biochim Biophys Acta Bioenerg, 1860, 2019
8B4I
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BU of 8b4i by Molmil
Cryo-EM structure of the Neurospora crassa TOM core complex at 3.3 angstrom
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, DIUNDECYL PHOSPHATIDYL CHOLINE, Mitochondrial import receptor subunit Tom22, ...
Authors:Ornelas, P, Kuehlbrandt, W.
Deposit date:2022-09-20
Release date:2023-08-09
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Two conformations of the Tom20 preprotein receptor in the TOM holo complex.
Proc.Natl.Acad.Sci.USA, 120, 2023

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