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5EH4
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BU of 5eh4 by Molmil
Crystal Structure of the Glycophorin A Transmembrane Dimer in Lipidic Cubic Phase
Descriptor: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Glycophorin-A
Authors:Call, M.J, Call, M.E, Trenker, R.
Deposit date:2015-10-28
Release date:2015-12-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal Structure of the Glycophorin A Transmembrane Dimer in Lipidic Cubic Phase.
J.Am.Chem.Soc., 137, 2015
7K0B
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BU of 7k0b by Molmil
The internal aldimine form of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with cesium ion at the metal coordination site. A random beta-P270L mutation was inserted during PCR step
Descriptor: 1,2-ETHANEDIOL, BICINE, CESIUM ION, ...
Authors:Hilario, E, Dunn, M.F, Mueller, L.J.
Deposit date:2020-09-04
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:The internal aldimine form of Salmonella typhimurium Tryptophan Synthase mutant beta-Q114A with cesium ion at the metal coordination site. A random beta-P270L mutation was inserted during PCR step.
To be Published
5AYO
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Crystal structure of a bacterial homologue of iron transporter ferroportin in inward-facing state
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, POTASSIUM ION, Solute carrier family 39 (Iron-regulated transporter), ...
Authors:Taniguchi, R, Kato, H.E, Font, J, Deshpande, C.N, Ishitani, R, Jormakka, M, Nureki, O.
Deposit date:2015-08-25
Release date:2015-11-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Outward- and inward-facing structures of a putative bacterial transition-metal transporter with homology to ferroportin
Nat Commun, 6, 2015
2VOU
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BU of 2vou by Molmil
Structure of 2,6-dihydroxypyridine-3-hydroxylase from Arthrobacter nicotinovorans
Descriptor: 2,6-DIHYDROXYPYRIDINE HYDROXYLASE, ACETATE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Treiber, N, Schulz, G.E.
Deposit date:2008-02-21
Release date:2008-05-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of 2,6-Dihydroxypyridine 3-Hydroxylase from a Nicotine-Degrading Pathway.
J.Mol.Biol., 379, 2008
2G1S
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BU of 2g1s by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C Ring
Descriptor: (2S)-6-(2,4-DIAMINO-6-ETHYLPYRIMIDIN-5-YL)-2-(3,5-DIFLUOROPHENYL)-4-(3-METHOXYPROPYL)-2H-1,4-BENZOXAZIN-3(4H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
Authors:Holsworth, D.D, Jalaiea, M, Zhanga, E, Mcconnella, P.
Deposit date:2006-02-14
Release date:2006-06-13
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
7K0U
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Crystal structure of the second bromodomain (BD2) of human TAF1 bound to PLK1 kinase inhibitor BI2536
Descriptor: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-09-06
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
7K03
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Crystal structure of the tandem bromodomain (BD1 and BD2) of human TAF1 bound to ATR kinase inhibitor AZD6738
Descriptor: 1,2-ETHANEDIOL, 4-(4-{1-[(R)-amino(hydroxy)methyl-lambda~4~-sulfanyl]cyclopropyl}-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl)-1H-pyrrolo[2,3-b]pyridine, Transcription initiation factor TFIID subunit 1
Authors:Karim, M.R, Schonbrunn, E.
Deposit date:2020-09-03
Release date:2021-09-22
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Dual TAF1-ATR Inhibitors and Ligand-Induced Structural Changes of the TAF1 Tandem Bromodomain.
J.Med.Chem., 65, 2022
1RRL
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BU of 1rrl by Molmil
Soybean Lipoxygenase (LOX-3) at 93K at 2.0 A resolution
Descriptor: FE (II) ION, Seed lipoxygenase-3
Authors:Borbulevych, O.Y, Jankun, J, Skrzypczak-Jankun, E.
Deposit date:2003-12-08
Release date:2004-12-21
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Effect of crystal freezing and small-molecule binding on internal cavity size in a large protein: X-ray and docking studies of lipoxygenase at ambient and low temperature at 2.0 A resolution.
Acta Crystallogr.,Sect.D, 62, 2006
2VV9
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CDK2 in complex with an imidazole piperazine
Descriptor: 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol, CELL DIVISION PROTEIN KINASE 2
Authors:Acton, D.G, Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Finlay, M.R, Fisher, E, Gerhardt, S, Graham, M.A, Green, C.P, Heaton, D.W, Loddick, S.A, Morgentin, R, Read, J, Roberts, A, Stanway, J, Tucker, J.A, Weir, H.M.
Deposit date:2008-06-04
Release date:2008-08-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Imidazole Piperazines: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors with a Novel Binding Mode.
Bioorg.Med.Chem.Lett., 18, 2008
2NRZ
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BU of 2nrz by Molmil
Crystal structure of the C-terminal half of UvrC bound to its catalytic divalent cation
Descriptor: MANGANESE (II) ION, UvrABC system protein C
Authors:Karakas, E, Truglio, J.J, Kisker, C.
Deposit date:2006-11-02
Release date:2007-02-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the C-terminal half of UvrC reveals an RNase H endonuclease domain with an Argonaute-like catalytic triad.
Embo J., 26, 2007
1KT8
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BU of 1kt8 by Molmil
HUMAN BRANCHED CHAIN AMINO ACID AMINOTRANSFERASE (MITOCHONDRIAL): THREE DIMENSIONAL STRUCTURE OF ENZYME IN ITS KETIMINE FORM WITH THE SUBSTRATE L-ISOLEUCINE
Descriptor: ACETIC ACID, BRANCHED-CHAIN AMINO ACID AMINOTRANSFERASE, MITOCHONDRIAL, ...
Authors:Yennawar, N.H, Conway, M.E, Yennawar, H.P, Farber, G.K, Hutson, S.M.
Deposit date:2002-01-15
Release date:2002-11-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of human mitochondrial branched chain aminotransferase reaction intermediates: ketimine and pyridoxamine phosphate forms
Biochemistry, 41, 2002
7KIF
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BU of 7kif by Molmil
Mycobacterium tuberculosis WT RNAP transcription open promoter complex with WhiB7 transcription factor
Descriptor: DNA (55-MER), DNA (63-MER), DNA-directed RNA polymerase subunit alpha, ...
Authors:Lilic, M, Darst, S.A, Campbell, E.A.
Deposit date:2020-10-23
Release date:2021-04-21
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural basis of transcriptional activation by the Mycobacterium tuberculosis intrinsic antibiotic-resistance transcription factor WhiB7.
Mol.Cell, 81, 2021
2VQ7
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BU of 2vq7 by Molmil
Bacterial flavin-containing monooxygenase in complex with NADP: native data
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Alfieri, A, Malito, E, Orru, R, Fraaije, M.W, Mattevi, A.
Deposit date:2008-03-12
Release date:2008-04-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Revealing the Moonlighting Role of Nadp in the Structure of a Flavin-Containing Monooxygenase.
Proc.Natl.Acad.Sci.USA, 105, 2008
7KIM
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BU of 7kim by Molmil
Mycobacterium tuberculosis WT RNAP transcription closed promoter complex with WhiB7 transcription factor
Descriptor: DNA (45-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Lilic, M, Darst, S.A, Campbell, E.A.
Deposit date:2020-10-23
Release date:2021-04-21
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.38 Å)
Cite:Structural basis of transcriptional activation by the Mycobacterium tuberculosis intrinsic antibiotic-resistance transcription factor WhiB7.
Mol.Cell, 81, 2021
1KGF
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BU of 1kgf by Molmil
STRUCTURE OF BETA-LACTAMASE ASN 170 GLN MUTANT
Descriptor: BETA-LACTAMASE
Authors:Chen, C.C.H, Zawadzke, L.E, Herzberg, O.
Deposit date:1996-10-17
Release date:1997-03-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Elimination of the hydrolytic water molecule in a class A beta-lactamase mutant: crystal structure and kinetics.
Biochemistry, 35, 1996
1FDN
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BU of 1fdn by Molmil
REFINED CRYSTAL STRUCTURE OF THE 2[4FE-4S] FERREDOXIN FROM CLOSTRIDIUM ACIDURICI AT 1.84 ANGSTROMS RESOLUTION
Descriptor: FERREDOXIN, IRON/SULFUR CLUSTER
Authors:Duee, E, Fanchon, E, Vicat, J, Sieker, L.C, Meyer, J, Moulis, J-M.
Deposit date:1994-03-31
Release date:1994-08-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Refined crystal structure of the 2[4Fe-4S] ferredoxin from Clostridium acidurici at 1.84 A resolution.
J.Mol.Biol., 243, 1994
2YPV
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BU of 2ypv by Molmil
Crystal structure of the Meningococcal vaccine antigen factor H binding protein in complex with a bactericidal antibody
Descriptor: 1,2-ETHANEDIOL, FAB 12C1, LIPOPROTEIN
Authors:Malito, E, Veggi, D, Bottomley, M.J.
Deposit date:2012-11-01
Release date:2013-02-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Defining a Protective Epitope on Factor H Binding Protein, a Key Meningococcal Virulence Factor and Vaccine Antigen.
Proc.Natl.Acad.Sci.USA, 110, 2013
4K85
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BU of 4k85 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 12:0 Ceramide-1-Phosphate (12:0-C1P)
Descriptor: (2S,3R,4E)-2-(dodecanoylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
Authors:Simanshu, D.K, Brown, R.E, Patel, D.J.
Deposit date:2013-04-17
Release date:2013-07-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
1PZY
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BU of 1pzy by Molmil
W314A-BETA1,4-GALACTOSYLTRANSFERASE-I COMPLEXED WITH ALPHA-LACTALBUMIN IN THE PRESENCE OF N-ACETYLGLUCOSAMINE, UDP AND MANGANESE
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-LACTALBUMIN, BETA-1,4-GALACTOSYLTRANSFERASE, ...
Authors:Ramasamy, V, Ramakrishnan, B, Boeggeman, E, Qasba, P.K.
Deposit date:2003-07-14
Release date:2003-09-02
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Role of Tryptophan 314 in the Conformational Changes of beta 1,4-Galactosyltransferase-I
J.Mol.Biol., 331, 2003
2YBU
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Crystal structure of human acidic chitinase in complex with bisdionin F
Descriptor: 3,7-DIMETHYL-1-[3-(3-METHYL-2,6-DIOXO-9H-PURIN-1-YL)PROPYL]PURINE-2,6-DIONE, ACIDIC MAMMALIAN CHITINASE, GLYCEROL
Authors:Sutherland, T.E, Andersen, O.A, Betou, M, Eggleston, I.M, Maizels, R.M, van Aalten, D, Allen, J.E.
Deposit date:2011-03-10
Release date:2011-06-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Analyzing airway inflammation with chemical biology: dissection of acidic mammalian chitinase function with a selective drug-like inhibitor.
Chem. Biol., 18, 2011
2W48
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BU of 2w48 by Molmil
Crystal structure of the Full-length Sorbitol Operon Regulator SorC from Klebsiella pneumoniae
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:de Sanctis, D, McVey, C.E, Enguita, F.J, Carrondo, M.A.
Deposit date:2008-11-21
Release date:2009-05-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structure of the Full-Length Sorbitol Operon Regulator Sorc from Klebsiella Pneumoniae: Structural Evidence for a Novel Transcriptional Regulation Mechanism.
J.Mol.Biol., 387, 2009
4KF6
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BU of 4kf6 by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 8:0 Ceramide-1-Phosphate (8:0-C1P)
Descriptor: (2S,3R,4E)-3-hydroxy-2-(octanoylamino)octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
Authors:Simanshu, D.K, Brown, R.E, Patel, D.J.
Deposit date:2013-04-26
Release date:2013-07-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.195 Å)
Cite:Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
1FFP
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BU of 1ffp by Molmil
CRYSTAL STRUCTURE OF MURINE CLASS I H-2DB COMPLEXED WITH PEPTIDE GP33 (C9M/K1S)
Descriptor: BETA-2 MICROGLOBULIN BETA CHAIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B, ...
Authors:Wang, B, Sharma, A, Maile, R, Saad, M, Collins, E.J, Frelinger, J.A.
Deposit date:2000-07-25
Release date:2002-12-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Peptidic termini play a significant role in TCR recognition
J.IMMUNOL., 169, 2002
4K8N
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BU of 4k8n by Molmil
Crystal structure of human ceramide-1-phosphate transfer protein (CPTP) in complex with 18:1 Ceramide-1-Phosphate (18:1-C1P)
Descriptor: (2S,3R,4Z)-3-hydroxy-2-[(9E)-octadec-9-enoylamino]octadec-4-en-1-yl dihydrogen phosphate, Glycolipid transfer protein domain-containing protein 1
Authors:Simanshu, D.K, Brown, R.E, Patel, D.J.
Deposit date:2013-04-18
Release date:2013-07-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:Non-vesicular trafficking by a ceramide-1-phosphate transfer protein regulates eicosanoids.
Nature, 500, 2013
2VRM
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BU of 2vrm by Molmil
Structure of human MAO B in complex with phenyethylhydrazine
Descriptor: AMINE OXIDASE [FLAVIN-CONTAINING] B, FLAVIN-ADENINE DINUCLEOTIDE, PHENYLETHANE
Authors:Binda, C, Wang, J, Li, M, Hubalek, F, Mattevi, A, Edmondson, D.E.
Deposit date:2008-04-09
Release date:2008-04-22
Last modified:2014-01-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Mechanistic Studies of Arylalkylhydrazine Inhibition of Human Monoamine Oxidases a and B
Biochemistry, 47, 2008

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