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3MTB
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BU of 3mtb by Molmil
Glycogen phosphorylase complexed with 3-chlorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-04-30
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3NC4
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BU of 3nc4 by Molmil
The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Descriptor: Glycogen phosphorylase, muscle form, N-({(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Authors:Alexacou, K.-M.
Deposit date:2010-06-04
Release date:2011-01-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:The binding of beta-D-glucopyranosyl-thiosemicarbazone derivatives to glycogen phosphorylase: a new class of inhibitors
Bioorg.Med.Chem., 18, 2010
3NX3
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BU of 3nx3 by Molmil
Crystal structure of acetylornithine aminotransferase (argD) from Campylobacter jejuni
Descriptor: Acetylornithine aminotransferase, MAGNESIUM ION
Authors:Anderson, S.M, Wawrzak, Z, Onopriyenko, O, Skarina, T, Anderson, W.F, Savchenko, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-07-12
Release date:2010-08-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:

5T7D
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BU of 5t7d by Molmil
Crystal structure of Streptomyces hygroscopicus bialaphos resistance (BAR) protein in complex with acetyl coenzyme A
Descriptor: ACETATE ION, ACETYL COENZYME *A, Phosphinothricin N-acetyltransferase
Authors:Christ, B, Weng, J.K.
Deposit date:2016-09-04
Release date:2017-06-07
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Non-specific activities of the major herbicide-resistance gene BAR.
Nat Plants, 3, 2017
4GEB
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BU of 4geb by Molmil
Kynurenine Aminotransferase II Inhibitors
Descriptor: (5-hydroxy-4-{[(7-hydroxy-6-oxo-2-phenyl-6,7-dihydro-2H-pyrazolo[3,4-b]pyridin-5-yl)amino]methyl}-6-methylpyridin-3-yl)methyl dihydrogen phosphate, Kynurenine/alpha-aminoadipate aminotransferase, mitochondrial, ...
Authors:Pandit, J.
Deposit date:2012-08-01
Release date:2013-03-20
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:PF-04859989 as a template for structure-based drug design: identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency.
Bioorg.Med.Chem.Lett., 23, 2013
8CA0
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BU of 8ca0 by Molmil
Macrophage inhibitory factor (MIF) in complex with small molecule PAV174
Descriptor: 1-ethyl-9-methyl-3,7-dipyrrolidin-1-yl-phenothiazine, Macrophage migration inhibitory factor
Authors:Mueller, A, Torres, F, Roland, R, Korth, C.
Deposit date:2023-01-24
Release date:2024-02-07
Method:SOLUTION NMR
Cite:Oxidized MIF is a drug target at the molecular intersection between immune activation and tau cellular pathology
To Be Published
5ALI
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BU of 5ali by Molmil
ligand complex structure of soluble epoxide hydrolase
Descriptor: 1-[3-[5-(7-aminothiazolo[5,4-d]pyrimidin-2-yl)-1-[[(2S)-tetrahydrofuran-2-yl]methyl]imidazol-4-yl]phenyl]-3-(4-methoxyphenyl)urea, BIFUNCTIONAL EPOXIDE HYDROLASE 2, DI(HYDROXYETHYL)ETHER, ...
Authors:Oster, L, Tapani, S, Xue, Y, Kack, H.
Deposit date:2015-03-08
Release date:2015-05-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
9BTS
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BU of 9bts by Molmil
Crystal structure of the bacterioferritin (Bfr) and ferritin (Ftn) heterooligomer complex from Acinetobacter baumannii
Descriptor: Bacterioferritin (Bfr), Ferritin (Ftn), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Lovell, S, Liu, L, Battaile, K.P, Rivera, M.
Deposit date:2024-05-15
Release date:2024-08-14
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The crystal structure of Acinetobacter baumannii bacterioferritin reveals a heteropolymer of bacterioferritin and ferritin subunits.
Sci Rep, 14, 2024
5A2V
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BU of 5a2v by Molmil
Crystal structure of mtPAP in Apo form
Descriptor: CHLORIDE ION, MITOCHONDRIAL PROTEIN
Authors:Lapkouski, M, Hallberg, B.M.
Deposit date:2015-05-26
Release date:2015-09-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structure of Mitochondrial Poly(A) RNA Polymerase Reveals the Structural Basis for Dimerization, ATP Selectivity and the Spax4 Disease Phenotype.
Nucleic Acids Res., 43, 2015
5A2Z
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BU of 5a2z by Molmil
Crystal structure of mtPAP in complex with GTP
Descriptor: GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MITOCHONDRIAL PROTEIN
Authors:Lapkouski, M, Hallberg, B.M.
Deposit date:2015-05-26
Release date:2015-09-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structure of Mitochondrial Poly(A) RNA Polymerase Reveals the Structural Basis for Dimerization, ATP Selectivity and the Spax4 Disease Phenotype.
Nucleic Acids Res., 43, 2015
5A2X
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BU of 5a2x by Molmil
Crystal structure of mtPAP in complex with CTP
Descriptor: CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, MITOCHONDRIAL PROTEIN
Authors:Lapkouski, M, Hallberg, B.M.
Deposit date:2015-05-26
Release date:2015-09-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of Mitochondrial Poly(A) RNA Polymerase Reveals the Structural Basis for Dimerization, ATP Selectivity and the Spax4 Disease Phenotype.
Nucleic Acids Res., 43, 2015
6FZY
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BU of 6fzy by Molmil
PPAR mutant
Descriptor: Peroxisome proliferator-activated receptor gamma
Authors:Rochel, N.
Deposit date:2018-03-15
Release date:2019-02-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZG
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BU of 6fzg by Molmil
PPAR gamma mutant complex
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, CHLORIDE ION, Peroxisome proliferator-activated receptor gamma
Authors:Rochel, N.
Deposit date:2018-03-14
Release date:2019-02-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZP
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BU of 6fzp by Molmil
PPAR gamma complex.
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
Authors:Rochel, N, Beji, S.
Deposit date:2018-03-15
Release date:2019-02-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
6FZF
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BU of 6fzf by Molmil
PPAR mutant complex
Descriptor: (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
Authors:Rochel, N.
Deposit date:2018-03-14
Release date:2019-02-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Recurrent activating mutations of PPAR gamma associated with luminal bladder tumors.
Nat Commun, 10, 2019
7L0F
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BU of 7l0f by Molmil
Monobody 12VC3 Bound to HRAS(WT)
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ...
Authors:Teng, K.W, Hattori, T, Tsai, S, Koide, S.
Deposit date:2020-12-11
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Selective and noncovalent targeting of RAS mutants for inhibition and degradation.
Nat Commun, 12, 2021
7L0G
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BU of 7l0g by Molmil
Monobody 12VC1 Bound to HRAS(G12C)
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, GTPase HRas, MAGNESIUM ION, ...
Authors:Teng, K.W, Hattori, T, Tsai, S, Koide, S.
Deposit date:2020-12-11
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Selective and noncovalent targeting of RAS mutants for inhibition and degradation.
Nat Commun, 12, 2021
6WO3
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BU of 6wo3 by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody U1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Tzarum, N, Wilson, I.A, Law, M.
Deposit date:2020-04-24
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.382 Å)
Cite:An alternate conformation of HCV E2 neutralizing face as an additional vaccine target.
Sci Adv, 6, 2020
6WO4
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BU of 6wo4 by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody HC11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Tzarum, N, Wilson, I.A, Law, M.
Deposit date:2020-04-24
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:An alternate conformation of HCV E2 neutralizing face as an additional vaccine target.
Sci Adv, 6, 2020
6WOQ
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BU of 6woq by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 1a bound to neutralizing antibody HC1AM and non neutralizing antibody E1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Tzarum, N, Wilson, I.A, Law, M.
Deposit date:2020-04-25
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.667 Å)
Cite:An alternate conformation of HCV E2 neutralizing face as an additional vaccine target.
Sci Adv, 6, 2020
6WO5
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BU of 6wo5 by Molmil
Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 1a bound to neutralizing antibody 212.1.1 and non neutralizing antibody E1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein E2, ...
Authors:Tzarum, N, Wilson, I.A, Law, M.
Deposit date:2020-04-24
Release date:2020-08-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.619 Å)
Cite:An alternate conformation of HCV E2 neutralizing face as an additional vaccine target.
Sci Adv, 6, 2020
4XSH
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BU of 4xsh by Molmil
The complex structure of C3cer exoenzyme and GTP bound RhoA (NADH-bound state)
Descriptor: 1,2-ETHANEDIOL, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ...
Authors:Toda, A, Tsurumura, T, Yoshida, T, Tsuge, H.
Deposit date:2015-01-22
Release date:2015-06-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Rho GTPase Recognition by C3 Exoenzyme Based on C3-RhoA Complex Structure.
J.Biol.Chem., 290, 2015
4XYP
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BU of 4xyp by Molmil
Crystal structure of a piscine viral fusion protein
Descriptor: 3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM, CHLORIDE ION, Fusion protein
Authors:Cook, J.D, Lee, J.E.
Deposit date:2015-02-02
Release date:2015-06-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Electrostatic Architecture of the Infectious Salmon Anemia Virus (ISAV) Core Fusion Protein Illustrates a Carboxyl-Carboxylate pH Sensor.
J.Biol.Chem., 290, 2015
5MFW
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BU of 5mfw by Molmil
Crystal structure of the GluK1 ligand-binding domain in complex with kainate and BPAM-121 at 2.10 A resolution
Descriptor: 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, 7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, ...
Authors:Larsen, A.P, Frydenvang, K, Kastrup, J.S.
Deposit date:2016-11-18
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Identification and Structure-Function Study of Positive Allosteric Modulators of Kainate Receptors.
Mol. Pharmacol., 91, 2017
4XSG
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BU of 4xsg by Molmil
The complex structure of C3cer exoenzyme and GTP bound RhoA (NADH-free state)
Descriptor: 1,2-ETHANEDIOL, 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ADP-ribosyltransferase, ...
Authors:Toda, A, Tsurumura, T, Yoshida, T, Tsuge, H.
Deposit date:2015-01-22
Release date:2015-06-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Rho GTPase Recognition by C3 Exoenzyme Based on C3-RhoA Complex Structure.
J.Biol.Chem., 290, 2015

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