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5DJF
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BU of 5djf by Molmil
Structure of M. tuberculosis CysQ, a PAP phosphatase - ligand-free structure
Descriptor: 3'-phosphoadenosine 5'-phosphate phosphatase, GLYCEROL, SODIUM ION
Authors:Erickson, A.I, Fisher, A.J.
Deposit date:2015-09-02
Release date:2015-11-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structures of Mycobacterium tuberculosis CysQ, with Substrate and Products Bound.
Biochemistry, 54, 2015
3E80
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BU of 3e80 by Molmil
Structure of Heparinase II complexed with heparan sulfate degradation disaccharide product
Descriptor: 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, Heparinase II protein, PHOSPHATE ION, ...
Authors:Shaya, D, Cygler, M.
Deposit date:2008-08-19
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Catalytic mechanism of heparinase II investigated by site-directed mutagenesis and the crystal structure with its substrate.
J.Biol.Chem., 285, 2010
1HNF
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BU of 1hnf by Molmil
CRYSTAL STRUCTURE OF THE EXTRACELLULAR REGION OF THE HUMAN CELL ADHESION MOLECULE CD2 AT 2.5 ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CD2, SODIUM ION
Authors:Bodian, D.L, Jones, E.Y, Harlos, K, Stuart, D.I, Davis, S.J.
Deposit date:1994-08-10
Release date:1995-02-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the extracellular region of the human cell adhesion molecule CD2 at 2.5 A resolution.
Structure, 2, 1994
3SK3
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BU of 3sk3 by Molmil
Crystal structure of Salmonella typhimurium acetate kinase (AckA) with citrate bound at the dimeric interface
Descriptor: 1,2-ETHANEDIOL, Acetate kinase, CITRIC ACID
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2011-06-22
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and mechanistic investigations on Salmonella typhimurium acetate kinase (AckA): identification of a putative ligand binding pocket at the dimeric interface
Bmc Struct.Biol., 12, 2012
4I3L
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BU of 4i3l by Molmil
Crystal structure of a metabolic reductase with 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one
Descriptor: 6-benzyl-1-hydroxy-4-methylpyridin-2(1H)-one, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zheng, B, Yao, Y, Liu, Z, Deng, L, Anglin, J.L, Jiang, H, Prasad, B.V.V, Song, Y.
Deposit date:2012-11-26
Release date:2013-05-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.292 Å)
Cite:Crystallographic Investigation and Selective Inhibition of Mutant Isocitrate Dehydrogenase.
ACS Med Chem Lett, 4, 2013
3ZSF
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BU of 3zsf by Molmil
Crystal structure of the L-cystine solute receptor of Neisseria gonorrhoeae in the unliganded open conformation
Descriptor: ABC TRANSPORTER, PERIPLASMIC BINDING PROTEIN, AMINO ACID
Authors:Bulut, H, Moniot, S, Scheffel, F, Gathmann, S, Licht, A, Saenger, W, Schneider, E.
Deposit date:2011-06-27
Release date:2011-12-14
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Crystal Structures of Two Solute Receptors for L-Cystine and L-Cysteine, Respectively, of the Human Pathogen Neisseria Gonorrhoeae.
J.Mol.Biol., 415, 2012
4HAH
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BU of 4hah by Molmil
Structure of the Salmonella plasmid virulence C protein (SpvC)
Descriptor: 27.5 kDa virulence protein
Authors:Shenoy, A.G, Johnson, S.J, Hengge, A.C.
Deposit date:2012-09-26
Release date:2013-10-02
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanistic and structural investigations of phosphothreonine lyase class of enzymes.
To be Published
5C5H
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BU of 5c5h by Molmil
R195K E. coli MenE with bound OSB-AMS
Descriptor: 2-succinylbenzoate--CoA ligase, 5'-O-{[4-(2-carboxyphenyl)-4-oxobutanoyl]sulfamoyl}adenosine, MAGNESIUM ION
Authors:Matarlo, J.S, Shek, R, Rajashankar, K.R, Tonge, P.J, French, J.B.
Deposit date:2015-06-19
Release date:2015-10-07
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:Mechanism of MenE Inhibition by Acyl-Adenylate Analogues and Discovery of Novel Antibacterial Agents.
Biochemistry, 54, 2015
4B8E
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BU of 4b8e by Molmil
PRY-SPRY domain of Trim25
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, E3 UBIQUITIN/ISG15 LIGASE TRIM25
Authors:Kershaw, N.J, D'Cruz, A.A, Nicola, N.A, Nicholson, S.E, Babon, J.J.
Deposit date:2012-08-27
Release date:2013-09-04
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.779 Å)
Cite:Crystal Structure of the Trim25 B30.2 (Pryspry) Domain: A Key Component of Antiviral Signaling.
Biochem.J., 456, 2013
1XOW
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BU of 1xow by Molmil
Crystal structure of the human androgen receptor ligand binding domain bound with an androgen receptor NH2-terminal peptide, AR20-30, and R1881
Descriptor: (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE, androgen receptor, decamer fragment of androgen receptor
Authors:He, B, Gampe Jr, R.T, Kole, A.J, Hnat, A.T, Stanley, T.B, An, G, Stewart, E.L, Kalman, R.I, Minges, J.T, Wilson, E.M.
Deposit date:2004-10-07
Release date:2004-11-16
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for androgen receptor interdomain and coactivator interactions suggests a transition in nuclear receptor activation function dominance
Mol.Cell, 16, 2004
3VXC
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BU of 3vxc by Molmil
Crystal Structure of Xylobiose-BxlE complex from Streptomyces thermoviolaceus OPC-520
Descriptor: Putative sugar-binding lipoprotein, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Tomoo, K, Ishida, T, Miyamoto, K, Tsujibo, H.
Deposit date:2012-09-11
Release date:2013-09-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Xylooligosaccharide-Binding Protein from Streptomyces thermoviolaceus OPC-520: Dramatic Conformational Change with Ligand binding
To be published
4RUT
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BU of 4rut by Molmil
crystal structure of murine cyclooxygenase-2 with 13-methyl-arachidonic Acid
Descriptor: (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Kudalkar, S.N, Banerjee, S, Makriyannis, A, Nikas, S.P, Marnett, L.J.
Deposit date:2014-11-21
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:13-methylarachidonic Acid is a positive allosteric modulator of endocannabinoid oxygenation by cyclooxygenase.
J.Biol.Chem., 290, 2015
5ZRU
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BU of 5zru by Molmil
Crystal structure of Agl-KA catalytic domain
Descriptor: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Alpha-1,3-glucanase, CALCIUM ION, ...
Authors:Yano, S, Makabe, K.
Deposit date:2018-04-25
Release date:2019-10-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.833 Å)
Cite:Crystal structure of the catalytic unit of GH 87-type alpha-1,3-glucanase Agl-KA from Bacillus circulans.
Sci Rep, 9, 2019
1Y20
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BU of 1y20 by Molmil
Crystal structure of the NR1 ligand-binding core in complex with ACPC
Descriptor: 1-AMINOCYCLOPROPANECARBOXYLIC ACID, Glutamate [NMDA] receptor subunit zeta 1
Authors:Inanobe, A, Gouaux, E.
Deposit date:2004-11-19
Release date:2005-07-12
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanism of Partial Agonist Action at the NR1 Subunit of NMDA Receptors.
Neuron, 47, 2005
3SEC
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BU of 3sec by Molmil
Crystal structure of Methanothermobacter thermautotrophicus orotidine 5'-monophosphate decarboxylase complexed with pyrazofurin monophosphate
Descriptor: (1S)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol, GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Liu, Y, Kotra, L.P, Pai, E.F.
Deposit date:2011-06-10
Release date:2012-04-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of methanococcus thermolithotrophicus orotidine 5'-monophosphate decarboxylase complexed with pyrazofurin monophosphate
To be Published
2HB2
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BU of 2hb2 by Molmil
Structure of HIV protease 6X mutant in apo form
Descriptor: Protease
Authors:Heaslet, H, Tam, K, Elder, J.H, Stout, C.D.
Deposit date:2006-06-13
Release date:2007-06-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
1F8Y
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BU of 1f8y by Molmil
CRYSTAL STRUCTURE ANALYSIS OF NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASE COMPLEXED WITH 5-METHYL-2'-DEOXYPSEUDOURIDINE
Descriptor: 2'-deoxy-1-methyl-pseudouridine, NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASE
Authors:Armstrong, S.R, Cook, W.J, Short, S.A, Ealick, S.E.
Deposit date:2000-07-05
Release date:2000-08-09
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of nucleoside 2-deoxyribosyltransferase in native and ligand-bound forms reveal architecture of the active site.
Structure, 4, 1996
3SLC
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BU of 3slc by Molmil
Crystal structure of apo form of acetate kinase (AckA) from Salmonella typhimurium
Descriptor: 1,2-ETHANEDIOL, Acetate kinase
Authors:Chittori, S, Savithri, H.S, Murthy, M.R.N.
Deposit date:2011-06-24
Release date:2012-08-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural and mechanistic investigations on Salmonella typhimurium acetate kinase (AckA): identification of a putative ligand binding pocket at the dimeric interface
Bmc Struct.Biol., 12, 2012
6I9Z
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BU of 6i9z by Molmil
urate oxidase under 65 bar of argon
Descriptor: 8-AZAXANTHINE, ARGON, SODIUM ION, ...
Authors:Prange, T, Colloc'h, N, Carpentier, P.
Deposit date:2018-11-26
Release date:2019-12-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Comparative study of the effects of high hydrostatic pressure per se and high argon pressure on urate oxidase ligand stabilization
Acta Cryst. D, 78, 2022
2PQD
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BU of 2pqd by Molmil
A100G CP4 EPSPS liganded with (R)-difluoromethyl tetrahedral reaction intermediate analog
Descriptor: (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 3-phosphoshikimate 1-carboxyvinyltransferase
Authors:Healy-Fried, M.L, Funke, T, Han, H, Schonbrunn, E.
Deposit date:2007-05-01
Release date:2008-03-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Differential inhibition of class I and class II 5-enolpyruvylshikimate-3-phosphate synthases by tetrahedral reaction intermediate analogues.
Biochemistry, 46, 2007
8BGU
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BU of 8bgu by Molmil
human MDM2-5S RNP
Descriptor: 5S rRNA, 60S ribosomal protein L11, 60S ribosomal protein L5, ...
Authors:Castillo, N, Thoms, M, Flemming, D, Hammaren, H.M, Buschauer, R, Ameismeier, M, Bassler, J, Beck, M, Beckmann, R, Hurt, E.
Deposit date:2022-10-28
Release date:2023-06-14
Last modified:2023-08-30
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structure of nascent 5S RNPs at the crossroad between ribosome assembly and MDM2-p53 pathways.
Nat.Struct.Mol.Biol., 30, 2023
1FY5
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BU of 1fy5 by Molmil
Fusarium oxysporum trypsin at atomic resolution
Descriptor: GLY-ALA-LYS, GLYCEROL, SULFATE ION, ...
Authors:Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S.
Deposit date:2000-09-28
Release date:2001-02-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (0.81 Å)
Cite:Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding.
Acta Crystallogr.,Sect.D, 57, 2001
1GDN
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BU of 1gdn by Molmil
FUSARIUM OXYSPORUM TRYPSIN AT ATOMIC RESOLUTION
Descriptor: GLY-ALA-LYS, GLYCEROL, SULFATE ION, ...
Authors:Rypniewski, W.R, Oestergaard, P, Noerregaard-Madsen, M, Dauter, M, Wilson, K.S.
Deposit date:2000-09-28
Release date:2001-02-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.81 Å)
Cite:Fusarium oxysporum trypsin at atomic resolution at 100 and 283 K: a study of ligand binding.
Acta Crystallogr.,Sect.D, 57, 2001
3ONZ
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BU of 3onz by Molmil
Human tetrameric hemoglobin: proximal nitrite ligand at beta
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRITE ION, ...
Authors:Yi, J, Thormas, L.M, Safo, M.K, Musayev, F.N, Richter-Addo, G.B.
Deposit date:2010-08-30
Release date:2011-09-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Crystallographic Trapping of Heme Loss Intermediates during the Nitrite-Induced Degradation of Human Hemoglobin.
Biochemistry, 50, 2011
3LSW
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BU of 3lsw by Molmil
Aniracetam bound to the ligand binding domain of GluA3
Descriptor: 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE, GLUTAMIC ACID, GluA2 S1S2 domain, ...
Authors:Ahmed, A.H, Oswald, R.E.
Deposit date:2010-02-13
Release date:2010-03-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.752 Å)
Cite:Piracetam Defines a New Binding Site for Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazole-propionic Acid (AMPA) Receptors.
J.Med.Chem., 53, 2010

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