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5L1U
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BU of 5l1u by Molmil
X-ray Structure of M81A mutant of Cytochrome P450 PntM with pentalenolactone F
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.074 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
5L1T
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BU of 5l1t by Molmil
X-ray Structure of M77S mutant of Cytochrome P450 PntM with pentalenolactone F
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Pentalenolactone synthase, pentalenolactone F
Authors:Duan, L, Jogl, G, Cane, D.E.
Deposit date:2016-07-29
Release date:2016-09-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.082 Å)
Cite:The Cytochrome P450-Catalyzed Oxidative Rearrangement in the Final Step of Pentalenolactone Biosynthesis: Substrate Structure Determines Mechanism.
J.Am.Chem.Soc., 138, 2016
2YQH
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BU of 2yqh by Molmil
Crystal structure of uridine-diphospho-N-acetylglucosamine pyrophosphorylase from Candida albicans, in the substrate-binding form
Descriptor: 2-acetamido-2-deoxy-1-O-phosphono-alpha-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ...
Authors:Miki, K, Maruyama, D, Nishitani, Y, Nonaka, T, Kita, A.
Deposit date:2007-03-30
Release date:2007-05-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Uridine-diphospho-N-acetylglucosamine Pyrophosphorylase from Candida albicans and Catalytic Reaction Mechanism
J.Biol.Chem., 282, 2007
3HY4
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BU of 3hy4 by Molmil
Structure of human MTHFS with N5-iminium phosphate
Descriptor: 5-formyltetrahydrofolate cyclo-ligase, MAGNESIUM ION, N-({trans-4-[({(2R,4R,4aS,6S,8aS)-2-amino-4-hydroxy-5-[(phosphonooxy)methyl]decahydropteridin-6-yl}methyl)amino]cyclohexyl}carbonyl)-L-glutamic acid, ...
Authors:Wu, D, Li, Y, Song, G, Cheng, C, Shaw, N, Liu, Z.-J.
Deposit date:2009-06-22
Release date:2009-07-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.795 Å)
Cite:Structural basis for the inhibition of human 5,10-methenyltetrahydrofolate synthetase by N10-substituted folate analogues
Cancer Res., 69, 2009
4W50
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BU of 4w50 by Molmil
Structure of the EphA4 LBD in complex with peptide
Descriptor: 1,3-BUTANEDIOL, APY peptide, Ephrin type-A receptor 4, ...
Authors:Lechtenberg, B.C, Mace, P.D, Riedl, S.J.
Deposit date:2014-08-16
Release date:2014-10-08
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Development and Structural Analysis of a Nanomolar Cyclic Peptide Antagonist for the EphA4 Receptor.
Acs Chem.Biol., 9, 2014
4W97
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BU of 4w97 by Molmil
Structure of ketosteroid transcriptional regulator KstR2 of Mycobacterium tuberculosis
Descriptor: CHLORIDE ION, HTH-type transcriptional repressor KstR2, S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 3-[(3aS,4S,7aS)-7a-methyl-1,5-bis(oxidanylidene)-2,3,3a,4,6,7-hexahydroinden-4-yl]propanethioate
Authors:Stogios, P.J, Evdokimova, E, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-08-27
Release date:2014-11-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and Functional Characterization of a Ketosteroid Transcriptional Regulator of Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015
3KGF
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BU of 3kgf by Molmil
The structure of 3-deoxy-D-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis complexed with phenylalanine and tryptophan
Descriptor: CHLORIDE ION, GLYCEROL, MANGANESE (II) ION, ...
Authors:Parker, E.J, Jameson, G.B, Jiao, W, Webby, C.J, Baker, E.N, Baker, H.M, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB)
Deposit date:2009-10-29
Release date:2010-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Synergistic allostery, a sophisticated regulatory network for the control of aromatic amino acid biosynthesis in Mycobacterium tuberculosis
J.Biol.Chem., 285, 2010
1HON
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BU of 1hon by Molmil
STRUCTURE OF GUANINE NUCLEOTIDE (GPPCP) COMPLEX OF ADENYLOSUCCINATE SYNTHETASE FROM ESCHERICHIA COLI AT PH 6.5 AND 25 DEGREE CELSIUS
Descriptor: ADENYLOSUCCINATE SYNTHETASE, AMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Poland, B.W, Hou, Z, Bruns, C, Fromm, H.J, Honzatko, R.B.
Deposit date:1996-04-26
Release date:1996-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Refined crystal structures of guanine nucleotide complexes of adenylosuccinate synthetase from Escherichia coli.
J.Biol.Chem., 271, 1996
6DRC
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BU of 6drc by Molmil
High IP3 Ca2+ human type 3 1,4,5-inositol trisphosphate receptor
Descriptor: CALCIUM ION, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ...
Authors:Hite, R.K, Paknejad, N.
Deposit date:2018-06-11
Release date:2018-08-01
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (3.92 Å)
Cite:Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
6DQS
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BU of 6dqs by Molmil
Class 3 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor
Descriptor: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION
Authors:Hite, R.K, Paknejad, N.
Deposit date:2018-06-11
Release date:2018-08-01
Last modified:2019-11-20
Method:ELECTRON MICROSCOPY (4.12 Å)
Cite:Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
1HQL
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BU of 1hql by Molmil
The xenograft antigen in complex with the B4 isolectin of Griffonia simplicifolia lectin-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, LECTIN, ...
Authors:Tempel, W, Lipscomb, L.A, Rose, J.P, Woods, R.J.
Deposit date:2000-12-18
Release date:2002-01-16
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The xenograft antigen bound to Griffonia simplicifolia lectin 1-B(4). X-ray crystal structure of the complex and molecular dynamics characterization of the binding site.
J.Biol.Chem., 277, 2002
6KSP
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BU of 6ksp by Molmil
Rat GluD1 receptor(splayed conformation) in complex with 7-CKA and Calcium ions
Descriptor: Glutamate receptor ionotropic, delta-1
Authors:Burada, A.P, Kumar, J.
Deposit date:2019-08-24
Release date:2020-01-15
Last modified:2020-01-29
Method:ELECTRON MICROSCOPY (8.1 Å)
Cite:Cryo-EM structures of the ionotropic glutamate receptor GluD1 reveal a non-swapped architecture.
Nat.Struct.Mol.Biol., 27, 2020
6KSS
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BU of 6kss by Molmil
Rat GluD1 receptor(compact conformation) in complex with 7-CKA and Calcium ions
Descriptor: Glutamate receptor ionotropic, delta-1
Authors:Burada, A.P, Kumar, J.
Deposit date:2019-08-26
Release date:2020-01-15
Last modified:2020-01-29
Method:ELECTRON MICROSCOPY (8.1 Å)
Cite:Cryo-EM structures of the ionotropic glutamate receptor GluD1 reveal a non-swapped architecture.
Nat.Struct.Mol.Biol., 27, 2020
1I4Z
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BU of 1i4z by Molmil
THE CRYSTAL STRUCTURE OF PHASCOLOPSIS GOULDII L98Y METHEMERYTHRIN
Descriptor: METHEMERYTHRIN, MU-OXO-DIIRON
Authors:Farmer, C.S, Kurtz Jr, D.M, Liu, Z.-J, Wang, B.C, Rose, J.
Deposit date:2001-02-23
Release date:2001-03-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structures of Phascolopsis gouldii wild type and L98Y methemerythrins: structural and functional alterations of the O2 binding pocket.
J.Biol.Inorg.Chem., 6, 2001
3RN6
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BU of 3rn6 by Molmil
Crystal structure of Cytosine Deaminase from Escherichia Coli complexed with zinc and isoguanine
Descriptor: (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol, 6-amino-3,7-dihydro-2H-purin-2-one, Cytosine deaminase, ...
Authors:Fedorov, A.A, Fedorov, E.V, Hitchcock, D.S, Raushel, F.M, Almo, S.C.
Deposit date:2011-04-22
Release date:2011-08-24
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:Rescue of the orphan enzyme isoguanine deaminase.
Biochemistry, 50, 2011
8SEB
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BU of 8seb by Molmil
Cryo-EM structure of a single loaded human UBA7-UBE2L6-ISG15 adenylate complex
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-04-08
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.24 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
8SE9
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BU of 8se9 by Molmil
Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex (Form 2)
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-04-08
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
8SEA
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BU of 8sea by Molmil
Cryo-EM structure of a double loaded human UBA7-UBE2L6-ISG15 thioester mimetic complex (Form 1)
Descriptor: ADENOSINE MONOPHOSPHATE, Ubiquitin-like modifier-activating enzyme 7, Ubiquitin-like protein ISG15, ...
Authors:Afsar, M, Jia, L, Ruben, E.A, Olsen, S.K.
Deposit date:2023-04-08
Release date:2023-10-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of Uba7 reveal the molecular basis for ISG15 activation and E1-E2 thioester transfer.
Nat Commun, 14, 2023
3UM5
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BU of 3um5 by Molmil
Double mutant (A16V+S108T) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS-T9/94) complexed with pyrimethamine, NADPH, and dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Kamchonwongpaisan, S, Chitnumsub, P, Yuthavong, Y.
Deposit date:2011-11-12
Release date:2012-07-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Combined Spatial Limitation around Residues 16 and 108 of Plasmodium falciparum Dihydrofolate Reductase Explains Resistance to Cycloguanil.
Antimicrob.Agents Chemother., 56, 2012
3UM6
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BU of 3um6 by Molmil
Double mutant (A16V+S108T) Plasmodium falciparum DHFR-TS (T9/94) complexed with cycloguanil, NADPH and dUMP
Descriptor: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, Bifunctional dihydrofolate reductase-thymidylate synthase, ...
Authors:Vanichtanankul, J, Chitnumsub, P, Kamchonwongpaisan, S, Yuthavong, Y.
Deposit date:2011-11-12
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Combined Spatial Limitation around Residues 16 and 108 of Plasmodium falciparum Dihydrofolate Reductase Explains Resistance to Cycloguanil.
Antimicrob.Agents Chemother., 56, 2012
3UM8
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BU of 3um8 by Molmil
Wild-type Plasmodium falciparum DHFR-TS complexed with cycloguanil and NADPH
Descriptor: 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Vanichtanankul, J, Chitnumsub, P, Kamchonwongpaisan, S, Yuthavong, Y.
Deposit date:2011-11-12
Release date:2012-07-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Combined Spatial Limitation around Residues 16 and 108 of Plasmodium falciparum Dihydrofolate Reductase Explains Resistance to Cycloguanil.
Antimicrob.Agents Chemother., 56, 2012
2XYX
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BU of 2xyx by Molmil
Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy
Descriptor: 4-[2-[[3-CHLORO-5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]AMINO]ETHYL]-N-(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)BENZENESULFONAMIDE, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA, octyl beta-D-glucopyranoside
Authors:Marquette, J.-P, Mathieu, M.
Deposit date:2010-11-19
Release date:2011-02-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy
Chemmedchem, 6, 2011
3L61
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BU of 3l61 by Molmil
Crystal structure of substrate-free P450cam at 200 mM [K+]
Descriptor: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Rupniewski, I, Goodin, D.B.
Deposit date:2009-12-22
Release date:2010-04-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:P450cam visits an open conformation in the absence of substrate.
Biochemistry, 49, 2010
7QX9
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BU of 7qx9 by Molmil
BAZ2A bromodomain in complex with acetylpyrrole derivative compound 65
Descriptor: 3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G.
Deposit date:2022-01-26
Release date:2022-09-28
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
1W7V
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BU of 1w7v by Molmil
ZnMg substituted aminopeptidase P from E. coli
Descriptor: CHLORIDE ION, MAGNESIUM ION, PEPTIDE VAL-PRO-LEU, ...
Authors:Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M.
Deposit date:2004-09-13
Release date:2005-09-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center.
Biochemistry, 44, 2005

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