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3QUI
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BU of 3qui by Molmil
Crystal structure of Pseudomonas aeruginosa Hfq in complex with ADPNP
Descriptor: ADENINE, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Nikulin, A.D, Murina, V.N, Gabdulkhakov, A.G.
Deposit date:2011-02-24
Release date:2012-02-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.933 Å)
Cite:Hfq binds ribonucleotides in three different RNA-binding sites.
Acta Crystallogr.,Sect.D, 69, 2013
8OXU
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BU of 8oxu by Molmil
Crystal Structure of the Hsp90-LA1011 Complex
Descriptor: ATP-dependent molecular chaperone HSP82, dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate
Authors:Roe, S.M, Prodromou, C.
Deposit date:2023-05-02
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.94 Å)
Cite:The Crystal Structure of the Hsp90-LA1011 Complex and the Mechanism by Which LA1011 May Improve the Prognosis of Alzheimer's Disease.
Biomolecules, 13, 2023
8P01
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BU of 8p01 by Molmil
Crystal structure of human STING ectodomain in complex with BI 7446, a potent cyclic dinucleotide STING agonist with broad-spectrum variant activity for the treatment of cancer
Descriptor: 3-[(1~{R},3~{R},6~{R},8~{R},9~{R},10~{R},12~{R},15~{R},17~{R},18~{R})-8-(6-aminopurin-9-yl)-9-fluoranyl-18-oxidanyl-3,12-bis(oxidanylidene)-3,12-bis(sulfanyl)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-6~{H}-imidazo[4,5-d]pyridazin-7-one, Stimulator of interferon genes protein
Authors:Nar, H.
Deposit date:2023-05-09
Release date:2023-07-26
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.094 Å)
Cite:Discovery of BI 7446: A Potent Cyclic Dinucleotide STING Agonist with Broad-Spectrum Variant Activity for the Treatment of Cancer.
J.Med.Chem., 66, 2023
1YIQ
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BU of 1yiq by Molmil
Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADHIIG from Pseudomonas putida HK5. Compariison to the other quinohemoprotein alcohol dehydrogenase ADHIIB found in the same microorganism.
Descriptor: CALCIUM ION, HEME C, PYRROLOQUINOLINE QUINONE, ...
Authors:Toyama, H, Chen, Z.W, Fukumoto, M, Adachi, O, Matsushita, K, Mathews, F.S.
Deposit date:2005-01-12
Release date:2005-08-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADH-IIG from Pseudomonas putida HK5
J.Mol.Biol., 352, 2005
8OLU
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BU of 8olu by Molmil
Leishmania tarentolae proteasome 20S subunit in complex with 1-Benzyl-N-(3-(cyclopropylcarbamoyl)phenyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
Descriptor: Proteasome alpha 1 subunit, putative, Proteasome alpha 5 subunit, ...
Authors:Rowland, P.
Deposit date:2023-03-30
Release date:2023-08-09
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structure-Guided Design and Synthesis of a Pyridazinone Series of Trypanosoma cruzi Proteasome Inhibitors.
J.Med.Chem., 66, 2023
3RAP
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BU of 3rap by Molmil
The small G protein Rap2 in a non catalytic complex with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, PROTEIN (G protein RAP2A)
Authors:Menetrey, J, Cherfils, J.
Deposit date:1999-05-31
Release date:1999-12-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the small G protein Rap2 in a non-catalytic complex with GTP.
Proteins, 37, 1999
1OUB
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BU of 1oub by Molmil
CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: X-RAY STRUCTURE OF THE V100A MUTANT
Descriptor: LYSOZYME, SODIUM ION
Authors:Takano, K, Yamagata, Y, Fujii, S, Yutani, K.
Deposit date:1996-08-23
Release date:1997-02-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of the hydrophobic effect to the stability of human lysozyme: calorimetric studies and X-ray structural analyses of the nine valine to alanine mutants.
Biochemistry, 36, 1997
1OUH
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BU of 1ouh by Molmil
CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: X-RAY STRUCTURE OF THE V74A MUTANT
Descriptor: LYSOZYME, SODIUM ION
Authors:Takano, K, Yamagata, Y, Fujii, S, Yutani, K.
Deposit date:1996-08-23
Release date:1997-02-12
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of the hydrophobic effect to the stability of human lysozyme: calorimetric studies and X-ray structural analyses of the nine valine to alanine mutants.
Biochemistry, 36, 1997
1OUF
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BU of 1ouf by Molmil
CONTRIBUTION OF HYDROPHOBIC RESIDUES TO THE STABILITY OF HUMAN LYSOZYME: X-RAY STRUCTURE OF THE V130A MUTANT
Descriptor: LYSOZYME, SODIUM ION
Authors:Takano, K, Yamagata, Y, Fujii, S, Yutani, K.
Deposit date:1996-08-23
Release date:1997-02-12
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of the hydrophobic effect to the stability of human lysozyme: calorimetric studies and X-ray structural analyses of the nine valine to alanine mutants.
Biochemistry, 36, 1997
3SKB
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BU of 3skb by Molmil
Structural characterization of a GII.4 2004 norovirus variant (TCH05)
Descriptor: Capsid
Authors:Shanker, S, Choi, J.-M, Sankaran, B, Atmar, R.L, Estes, M.K, Prasad, B.V.V.
Deposit date:2011-06-22
Release date:2011-07-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural Analysis of Histo-Blood Group Antigen Binding Specificity in a Norovirus GII.4 Epidemic Variant: Implications for Epochal Evolution.
J.Virol., 85, 2011
8PKY
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BU of 8pky by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148V variant
Descriptor: FLAVIN MONONUCLEOTIDE, histidine kinase
Authors:Nikolaev, A, Remeeva, A, Gushchin, I.
Deposit date:2023-06-27
Release date:2023-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Two distinct mechanisms of flavoprotein spectral tuning revealed by low-temperature and time-dependent spectroscopy.
Protein Sci., 33, 2024
8PM1
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BU of 8pm1 by Molmil
Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) variant I52V A85Q
Descriptor: FLAVIN MONONUCLEOTIDE, histidine kinase
Authors:Nikolaev, A, Remeeva, A, Gushchin, I.
Deposit date:2023-06-27
Release date:2023-07-05
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Two distinct mechanisms of flavoprotein spectral tuning revealed by low-temperature and time-dependent spectroscopy.
Protein Sci., 33, 2024
2Q09
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BU of 2q09 by Molmil
Crystal structure of Imidazolonepropionase from environmental sample with bound inhibitor 3-(2,5-Dioxo-imidazolidin-4-yl)-propionic acid
Descriptor: 3-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]PROPANOIC ACID, FE (III) ION, Imidazolonepropionase
Authors:Tyagi, R, Eswaramoorthy, S, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-05-21
Release date:2007-06-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:A common catalytic mechanism for proteins of the HutI family.
Biochemistry, 47, 2008
3TMN
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BU of 3tmn by Molmil
THE BINDING OF L-VALYL-L-TRYPTOPHAN TO CRYSTALLINE THERMOLYSIN ILLUSTRATES THE MODE OF INTERACTION OF A PRODUCT OF PEPTIDE HYDROLYSIS
Descriptor: CALCIUM ION, THERMOLYSIN, TRYPTOPHAN, ...
Authors:Holden, H.M, Matthews, B.W.
Deposit date:1987-06-29
Release date:1989-01-09
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The binding of L-valyl-L-tryptophan to crystalline thermolysin illustrates the mode of interaction of a product of peptide hydrolysis.
J.Biol.Chem., 263, 1988
3TQX
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BU of 3tqx by Molmil
Structure of the 2-amino-3-ketobutyrate coenzyme A ligase (kbl) from Coxiella burnetii
Descriptor: 2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE
Authors:Cheung, J, Franklin, M.C, Rudolph, M, Cassidy, M, Gary, E, Burshteyn, F, Love, J.
Deposit date:2011-09-09
Release date:2011-09-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Structural genomics for drug design against the pathogen Coxiella burnetii.
Proteins, 83, 2015
8PEK
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BU of 8pek by Molmil
Structure of the dimeric, periplasmic domain of ExbD
Descriptor: Biopolymer transport protein ExbD
Authors:Zinke, M, Bardiaux, B, Izadi-Pruneyre, N.
Deposit date:2023-06-14
Release date:2023-09-06
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Ton motor conformational switch and peptidoglycan role in bacterial nutrient uptake.
Nat Commun, 15, 2024
1ZNN
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BU of 1znn by Molmil
Structure of the synthase subunit of PLP synthase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, PLP SYNTHASE, SULFATE ION
Authors:Zhu, J, Burgner, J.W, Harms, E, Belitsky, B.R, Smith, J.L.
Deposit date:2005-05-11
Release date:2005-05-24
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A New Arrangement of (beta/alpha)8 Barrels in the Synthase Subunit of PLP Synthase.
J.Biol.Chem., 280, 2005
2FLI
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BU of 2fli by Molmil
The crystal structure of D-ribulose 5-phosphate 3-epimerase from Streptococus pyogenes complexed with D-xylitol 5-phosphate
Descriptor: D-XYLITOL-5-PHOSPHATE, ZINC ION, ribulose-phosphate 3-epimerase
Authors:Fedorov, A.A, Fedorov, E.V, Akana, J, Gerlt, J.A, Almo, S.C.
Deposit date:2006-01-06
Release date:2006-03-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:d-Ribulose 5-Phosphate 3-Epimerase: Functional and Structural Relationships to Members of the Ribulose-Phosphate Binding (beta/alpha)(8)-Barrel Superfamily(,).
Biochemistry, 45, 2006
3R05
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BU of 3r05 by Molmil
Structure of neurexin 1 alpha (domains LNS1-LNS6), with splice insert SS3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neurexin-1-alpha
Authors:Venugopal, V, Rudenko, G.
Deposit date:2011-03-07
Release date:2011-06-15
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The structure of neurexin 1α reveals features promoting a role as synaptic organizer
Structure, 19, 2011
3SEJ
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BU of 3sej by Molmil
Structural characterization of a GII.4 2004 norovirus variant (TCH05) bound to Secretor Lewis HBGA (LeB)
Descriptor: Capsid, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Shanker, S, Choi, J.-M, Sankaran, B, Atmar, R.L, Estes, M.K, Prasad, B.V.V.
Deposit date:2011-06-10
Release date:2011-07-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.041 Å)
Cite:Structural Analysis of Histo-Blood Group Antigen Binding Specificity in a Norovirus GII.4 Epidemic Variant: Implications for Epochal Evolution.
J.Virol., 85, 2011
1XQZ
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BU of 1xqz by Molmil
Crystal Structure of hPim-1 kinase at 2.1 A resolution
Descriptor: Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Qian, K.C, Wang, L, Hickey, E.R, Studts, J, Barringer, K, Peng, C, Kronkaitis, A, Li, J, White, A, Mische, S, Farmer, B.
Deposit date:2004-10-13
Release date:2004-11-09
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Constitutive Activity and a Unique Nucleotide Binding Mode of Human Pim-1 Kinase.
J.Biol.Chem., 280, 2005
3SLD
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BU of 3sld by Molmil
Structural characterization of a GII.4 2004 norovirus variant (TCH05) bound to A trisaccharide
Descriptor: Capsid, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose
Authors:Shanker, S, Choi, J.-M, Sankaran, B, Atmar, R.L, Estes, M.K, Prasad, B.V.V.
Deposit date:2011-06-24
Release date:2011-07-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.679 Å)
Cite:Structural Analysis of Histo-Blood Group Antigen Binding Specificity in a Norovirus GII.4 Epidemic Variant: Implications for Epochal Evolution.
J.Virol., 85, 2011
8PX2
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BU of 8px2 by Molmil
C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
Descriptor: 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bromodomain-containing protein 2
Authors:Chung, C.W.
Deposit date:2023-07-22
Release date:2023-10-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.622 Å)
Cite:Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe.
J.Med.Chem., 66, 2023
3S48
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BU of 3s48 by Molmil
Human Alpha-Haemoglobin Complexed with the First NEAT Domain of IsdH from Staphylococcus aureus
Descriptor: Hemoglobin subunit alpha, Iron-regulated surface determinant protein H, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kumar, K.K, Jacques, D.A, Caradoc-Davies, T.T, Guss, J.M, Gell, D.A.
Deposit date:2011-05-19
Release date:2012-05-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:The structure of alpha-haemoglobin in complex with a haemoglobin-binding domain from Staphylococcus aureus reveals the elusive alpha-haemoglobin dimerization interface
ACTA CRYSTALLOGR.,SECT.F, 70, 2014
8PXA
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BU of 8pxa by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (S)-5-(1-((1-(1-isopropylpiperidine-4-carbonyl)piperidin-3-yl)methyl)-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one
Descriptor: 1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2023-07-22
Release date:2023-10-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe.
J.Med.Chem., 66, 2023

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