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4WTY
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BU of 4wty by Molmil
Structure of the PTP-like myo-inositol phosphatase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
Descriptor: CHLORIDE ION, GLYCEROL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, ...
Authors:Bruder, L.M, Mosimann, S.C.
Deposit date:2014-10-30
Release date:2015-11-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
To Be Published
4WU3
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BU of 4wu3 by Molmil
Structure of the PTP-like myo-inositol phosphatase from Mitsuokella multacida in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
Descriptor: GLYCEROL, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE, MYO-INOSITOL PHOSPHOHYDROLASE, ...
Authors:Bruder, L.M, Mosimann, S.C.
Deposit date:2014-10-30
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the PTP-like phytase from Selenomonas ruminantium in complex with myo-inositol-(1,3,4,5)-tetrakisphosphate
To Be Published
4X48
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BU of 4x48 by Molmil
Crystal structure of GluR2 ligand-binding core
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, N-{(3S,4S)-4-[4-(5-cyanothiophen-2-yl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide, ...
Authors:Pandit, J.
Deposit date:2014-12-02
Release date:2015-05-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The Discovery and Characterization of the alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptor Potentiator N-{(3S,4S)-4-[4-(5-Cyano-2-thienyl)phenoxy]tetrahydrofuran-3-yl}propane-2-sulfonamide (PF-04958242).
J.Med.Chem., 58, 2015
1L2I
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BU of 1l2i by Molmil
Human Estrogen Receptor alpha Ligand-binding Domain in Complex with (R,R)-5,11-cis-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol and a Glucocorticoid Receptor Interacting Protein 1 NR box II Peptide
Descriptor: (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL, CHLORIDE ION, ESTROGEN RECEPTOR, ...
Authors:Shiau, A.K, Barstad, D, Radek, J.T, Meyers, M.J, Nettles, K.W, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Agard, D.A, Greene, G.L.
Deposit date:2002-02-21
Release date:2002-05-01
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural characterization of a subtype-selective ligand reveals a novel mode of estrogen receptor antagonism.
Nat.Struct.Biol., 9, 2002
3FST
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BU of 3fst by Molmil
Crystal Structure of Escherichia coli Methylenetetrahydrofolate Reductase Mutant Phe223Leu at pH 7.4
Descriptor: 5,10-methylenetetrahydrofolate reductase, FLAVIN-ADENINE DINUCLEOTIDE, MESO-ERYTHRITOL, ...
Authors:Tanner, J.J.
Deposit date:2009-01-12
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Functional role for the conformationally mobile phenylalanine 223 in the reaction of methylenetetrahydrofolate reductase from Escherichia coli.
Biochemistry, 48, 2009
4X6N
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BU of 4x6n by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea
Descriptor: 1,2-ETHANEDIOL, 1-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-5-chloro-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)benzyl]urea, Coagulation factor XI, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6O
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BU of 4x6o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (4-{4-chloro-2-[(1S)-1-({3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]propanoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XI, light chain, ...
Authors:Wei, A.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2015-04-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
4X6P
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BU of 4x6p by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide
Descriptor: (2E)-N-{(1S)-1-[4-(3-amino-1H-indazol-6-yl)-1H-imidazol-2-yl]-2-phenylethyl}-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRIC ACID, ...
Authors:Sheriff, S.
Deposit date:2014-12-08
Release date:2015-02-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Structure-based design of inhibitors of coagulation factor XIa with novel P1 moieties.
Bioorg.Med.Chem.Lett., 25, 2015
7OJ1
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BU of 7oj1 by Molmil
Bacillus subtilis IMPDH in complex with Ap4A
Descriptor: BIS(ADENOSINE)-5'-TETRAPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, MAGNESIUM ION
Authors:Giammarinaro, P.I, Bange, G.
Deposit date:2021-05-13
Release date:2022-09-14
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Diadenosine tetraphosphate regulates biosynthesis of GTP in Bacillus subtilis.
Nat Microbiol, 7, 2022
3O2X
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BU of 3o2x by Molmil
MMP-13 in complex with selective tetrazole core inhibitor
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, Collagenase 3, ...
Authors:Kiefer, J.R, Barta, T.E, Becker, D.P, Mathis, K.J, Williams, J.
Deposit date:2010-07-22
Release date:2011-08-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:MMP-13 in complex with selective tetrazole core inhibitor
To be Published
3OMP
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BU of 3omp by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
Descriptor: 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-7-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-27
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
4WKM
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BU of 4wkm by Molmil
AmpR effector binding domain from Citrobacter freundii bound to UDP-MurNAc-pentapeptide
Descriptor: ALA-FGA-API-DAL-DAL, GLYCEROL, LysR family transcriptional regulator, ...
Authors:Vadlamani, G, Reeve, T.M, Mark, B.L.
Deposit date:2014-10-02
Release date:2014-12-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The beta-Lactamase Gene Regulator AmpR Is a Tetramer That Recognizes and Binds the d-Ala-d-Ala Motif of Its Repressor UDP-N-acetylmuramic Acid (MurNAc)-pentapeptide.
J.Biol.Chem., 290, 2015
4X01
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BU of 4x01 by Molmil
S. pombe Ctp1 tetramerization domain
Descriptor: 1,2-ETHANEDIOL, DNA binding ctp1
Authors:Andres, S.N, Williams, R.S.
Deposit date:2014-11-20
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Tetrameric Ctp1 coordinates DNA binding and DNA bridging in DNA double-strand-break repair.
Nat.Struct.Mol.Biol., 22, 2015
3OMO
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BU of 3omo by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
Descriptor: 2-(trifluoroacetyl)-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-27
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
3OMQ
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BU of 3omq by Molmil
Fragment-Based Design of novel Estrogen Receptor Ligands
Descriptor: 2-[(trifluoromethyl)sulfonyl]-1,2,3,4-tetrahydroisoquinolin-6-ol, Estrogen receptor beta, Nuclear receptor coactivator 1
Authors:Moecklinghoff, S, van Otterlo, W.A, Rose, R, Fuchs, S, Dominguez Seoane, M, Waldmann, H, Ottmann, C, Brunsveld, L.
Deposit date:2010-08-27
Release date:2011-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Design and Evaluation of Fragment-Like Estrogen Receptor Tetrahydroisoquinoline Ligands from a Scaffold-Detection Approach.
J.Med.Chem., 54, 2011
7OL3
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BU of 7ol3 by Molmil
Human ATL1 N417ins (catalytic core)
Descriptor: Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kelly, C.M, Sondermann, H.
Deposit date:2021-05-19
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A novel insertion mutation in atlastin 1 is associated with spastic quadriplegia, increased membrane tethering, and aberrant conformational switching.
J.Biol.Chem., 298, 2021
4XHA
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BU of 4xha by Molmil
Crystal structure of Thosea asigna virus RNA-dependent RNA polymerase (RdRP) complexed with Lu3+
Descriptor: GLYCEROL, LUTETIUM (III) ION, RNA-dependent RNA polymerase, ...
Authors:Ferrero, D.S, Buxaderas, M, Rodriguez, J.F, Verdaguer, N.
Deposit date:2015-01-05
Release date:2015-11-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Structure of the RNA-Dependent RNA Polymerase of a Permutotetravirus Suggests a Link between Primer-Dependent and Primer-Independent Polymerases.
Plos Pathog., 11, 2015
1F07
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BU of 1f07 by Molmil
STRUCTURE OF COENZYME F420 DEPENDENT TETRAHYDROMETHANOPTERIN REDUCTASE FROM METHANOBACTERIUM THERMOAUTOTROPHICUM
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
Authors:Shima, S, Warkentin, E, Grabarse, W, Thauer, R.K, Ermler, U.
Deposit date:2000-05-15
Release date:2000-09-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of coenzyme F(420) dependent methylenetetrahydromethanopterin reductase from two methanogenic archaea.
J.Mol.Biol., 300, 2000
2DWE
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BU of 2dwe by Molmil
Crystal structure of KcsA-FAB-TBA complex in Rb+
Descriptor: (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, ANTIBODY FAB HEAVY CHAIN, ANTIBODY FAB LIGHT CHAIN, ...
Authors:Yohannan, S, Zhou, Y.
Deposit date:2006-08-10
Release date:2007-02-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel
J.Mol.Biol., 366, 2007
2DWD
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BU of 2dwd by Molmil
crystal structure of KcsA-FAB-TBA complex in Tl+
Descriptor: (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, ANTIBODY FAB HEAVY CHAIN, ANTIBODY FAB LIGHT CHAIN, ...
Authors:Yohannan, S, Zhou, Y.
Deposit date:2006-08-10
Release date:2007-02-20
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel
J.Mol.Biol., 366, 2007
2HVJ
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BU of 2hvj by Molmil
Crystal structure of KcsA-Fab-TBA complex in low K+
Descriptor: (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, NONAN-1-OL, POTASSIUM ION, ...
Authors:Zhou, Y.
Deposit date:2006-07-28
Release date:2007-02-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel.
J.Mol.Biol., 366, 2007
2HVK
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BU of 2hvk by Molmil
crystal structure of the KcsA-Fab-TBA complex in high K+
Descriptor: (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE, Antibody Fab heavy chain, Antibody Fab light chain, ...
Authors:Zhou, Y.
Deposit date:2006-07-28
Release date:2007-02-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic Study of the Tetrabutylammonium Block to the KcsA K(+) Channel.
J.Mol.Biol., 366, 2007
1DFO
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BU of 1dfo by Molmil
CRYSTAL STRUCTURE AT 2.4 ANGSTROM RESOLUTION OF E. COLI SERINE HYDROXYMETHYLTRANSFERASE IN COMPLEX WITH GLYCINE AND 5-FORMYL TETRAHYDROFOLATE
Descriptor: N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE], N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, SERINE HYDROXYMETHYLTRANSFERASE
Authors:Scarsdale, J.N, Radaev, S, Kazanina, G, Schirch, V, Wright, H.T.
Deposit date:1999-11-20
Release date:1999-12-10
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure at 2.4 A resolution of E. coli serine hydroxymethyltransferase in complex with glycine substrate and 5-formyl tetrahydrofolate.
J.Mol.Biol., 296, 2000
1VRQ
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BU of 1vrq by Molmil
Crystal Structure of Heterotetrameric Sarcosine Oxidase from Corynebacterium sp. U-96 in complex with Folinic Acid
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, N,N-DIMETHYLGLYCINE, ...
Authors:Ida, K, Moriguchi, T, Suzuki, H.
Deposit date:2005-04-27
Release date:2005-07-05
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of heterotetrameric sarcosine oxidase from Corynebacterium sp. U-96
BIOCHEM.BIOPHYS.RES.COMMUN., 333, 2005
1M1P
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BU of 1m1p by Molmil
P21 crystal structure of the tetraheme cytochrome c3 from Shewanella oneidensis MR1
Descriptor: HEME C, SULFATE ION, Small tetraheme cytochrome c
Authors:Leys, D, Meyer, T.E, Tsapin, A.I, Nealson, K.H, Cusanovich, M.A, Van Beeumen, J.J.
Deposit date:2002-06-20
Release date:2002-08-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures at atomic resolution reveal the novel concept of 'electron-harvesting' as a role for the small tetraheme cytochrome c
J.Biol.Chem., 277, 2002

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