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1EEL
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BU of 1eel by Molmil
STRUCTURE OF A COMPLEX BETWEEN THE DNA SEQUENCE DCGCGAATTCGCG AND BIS[PIPERIDINO-ETHYL]-FURAMIDINE
Descriptor: 2,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-5-YLAMINO-1-AMINOMETHYL]-PHEN-1-YL]FURAN, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'
Authors:Neidle, S, Simpson, I.J.
Deposit date:2000-02-01
Release date:2000-02-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A thermodynamic and structural analysis of DNA minor-groove complex formation.
J.Mol.Biol., 300, 2000
4ZFI
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BU of 4zfi by Molmil
Structure of Mdm2 with low molecular weight inhibitor
Descriptor: (5S)-3,5-bis(4-chlorobenzyl)-4-(6-chloro-1H-indol-3-yl)-5-hydroxy-1-methyl-1,5-dihydro-2H-pyrrol-2-one, E3 ubiquitin-protein ligase Mdm2
Authors:Zak, K.M, Twarda-Clapa, A, Wrona, E.M, Grudnik, P, Dubin, G, Holak, T.A.
Deposit date:2015-04-21
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Unique Mdm2-Binding Mode of the 3-Pyrrolin-2-one- and 2-Furanone-Based Antagonists of the p53-Mdm2 Interaction.
ACS Chem. Biol., 11, 2016
7YFI
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BU of 7yfi by Molmil
Structure of the Rat tri-heteromeric GluN1-GluN2A-GluN2C NMDA receptor in complex with glycine and glutamate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLUTAMIC ACID, ...
Authors:Zhang, M, Zhang, J, Guo, F, Li, Y, Zhu, S.
Deposit date:2022-07-08
Release date:2023-03-29
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Distinct structure and gating mechanism in diverse NMDA receptors with GluN2C and GluN2D subunits.
Nat.Struct.Mol.Biol., 30, 2023
4LWT
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BU of 4lwt by Molmil
The 1.6A Crystal Structure of Humanized Xenopus MDM2 with RO5027344
Descriptor: (3S)-3-[(3R)-1-acetylpiperidin-3-yl]-6-chloro-3-(3-chlorobenzyl)-1,3-dihydro-2H-indol-2-one, E3 ubiquitin-protein ligase Mdm2, SULFATE ION
Authors:Graves, B.J, Lukacs, C, Kammlott, U.
Deposit date:2013-07-28
Release date:2014-07-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of potent and selective spiroindolinone MDM2 inhibitor, RO8994, for cancer therapy.
Bioorg.Med.Chem., 22, 2014
3K90
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BU of 3k90 by Molmil
The Abscisic acid receptor PYR1 in complex with Abscisic Acid
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ACETIC ACID, GLYCEROL, ...
Authors:Dupeux, F.D, Santiago, J, Rodriguez, P.L, Marquez, J.A.
Deposit date:2009-10-15
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The abscisic acid receptor PYR1 in complex with abscisic acid.
Nature, 462, 2009
1WLU
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BU of 1wlu by Molmil
Crystal structure of TT0310 protein from Thermus thermophilus HB8
Descriptor: CHLORIDE ION, GLYCEROL, phenylacetic acid degradation protein PaaI
Authors:Kunishima, N, Sugahara, M, Miyano, M, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-06-29
Release date:2005-07-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Novel Induced-fit Reaction Mechanism of Asymmetric Hot Dog Thioesterase PaaI
J.Mol.Biol., 352, 2005
4PBR
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BU of 4pbr by Molmil
Crystal structure of the M. jannaschii G2 tRNA synthetase variant bound to 4-(2-bromoisobutyramido)-phenylalanine (BibaF)
Descriptor: 4-[(2-bromo-2-methylpropanoyl)amino]-L-phenylalanine, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Cooley, R.B, Karplus, P.A, Mehl, R.A.
Deposit date:2014-04-13
Release date:2014-07-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Gleaning Unexpected Fruits from Hard-Won Synthetases: Probing Principles of Permissivity in Non-canonical Amino Acid-tRNA Synthetases.
Chembiochem, 15, 2014
7VGB
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BU of 7vgb by Molmil
Crystal structure of apo prolyl oligopeptidase from Microbulbifer arenaceous
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Huang, P, Jiang, Z.Q.
Deposit date:2021-09-15
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.227 Å)
Cite:The structure and molecular dynamics of prolyl oligopeptidase from Microbulbifer arenaceous provide insights into catalytic and regulatory mechanisms.
Acta Crystallogr D Struct Biol, 78, 2022
7VGC
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BU of 7vgc by Molmil
Crystal structure of prolyl oligopeptidase from Microbulbifer arenaceous complex with a transition state analog inhibitor ZPR
Descriptor: CHLORIDE ION, N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL, prolyl oligopeptidase
Authors:Huang, P, Yang, S.Q, Jiang, Z.Q.
Deposit date:2021-09-15
Release date:2022-05-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.722 Å)
Cite:The structure and molecular dynamics of prolyl oligopeptidase from Microbulbifer arenaceous provide insights into catalytic and regulatory mechanisms.
Acta Crystallogr D Struct Biol, 78, 2022
3VQW
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BU of 3vqw by Molmil
Crystal structure of the SeMet substituted catalytic domain of pyrrolysyl-tRNA synthetase
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Pyrrolysine--tRNA ligase
Authors:Yanagisawa, T, Sumida, T, Ishii, R, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2012-04-01
Release date:2013-01-02
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A novel crystal form of pyrrolysyl-tRNA synthetase reveals the pre- and post-aminoacyl-tRNA synthesis conformational states of the adenylate and aminoacyl moieties and an asparagine residue in the catalytic site
Acta Crystallogr.,Sect.D, 69, 2013
1L9E
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BU of 1l9e by Molmil
Role of Histidine 269 in Catalysis by Monomeric Sarcosine Oxidase
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, IMIDAZOLE, ...
Authors:Zhao, G, Song, H, Chen, Z.-w, Mathews, F.S, Jorns, M.S.
Deposit date:2002-03-22
Release date:2002-08-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Monomeric sarcosine oxidase: role of histidine 269 in catalysis.
Biochemistry, 41, 2002
4UC1
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BU of 4uc1 by Molmil
High resolution crystal structure of translocator protein 18kDa (TSPO) from Rhodobacter sphaeroides (A139T Mutant) in C2 space group
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-1-(hexadecanoyloxy)-3-hydroxypropan-2-yl (11Z)-octadec-11-enoate, METHOXY-ETHOXYL, ...
Authors:Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S.
Deposit date:2014-08-13
Release date:2015-02-04
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015
4I4I
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BU of 4i4i by Molmil
Crystal Structure of Bacillus stearothermophilus Phosphofructokinase mutant T156A bound to PEP
Descriptor: 6-phosphofructokinase, PHOSPHOENOLPYRUVATE
Authors:Mosser, R, Reddy, M, Bruning, J.B, Sacchettini, J.C, Reinhart, G.D.
Deposit date:2012-11-27
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4948 Å)
Cite:Redefining the Role of the Quaternary Shift in Bacillus stearothermophilus Phosphofructokinase.
Biochemistry, 52, 2013
5TH4
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BU of 5th4 by Molmil
Crystal Structure of 1-hydroxypyridine-2(1H)-thione bound to human carbonic anhydrase 2 L198G
Descriptor: 1-hydroxy-2-sulfanylpyridinium, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
Authors:Dick, B, Cohen, S.
Deposit date:2016-09-29
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
4AOD
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BU of 4aod by Molmil
Biomphalaria glabrata Acetylcholine-binding protein type 1 (BgAChBP1)
Descriptor: ACETYLCHOLINE-BINDING PROTEIN TYPE 1
Authors:Saur, M, Moeller, V, Kapetanopoulos, K, Braukmann, S, Gebauer, W, Tenzer, S, Markl, J.
Deposit date:2012-03-26
Release date:2012-08-29
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Acetylcholine-Binding Protein in the Hemolymph of the Planorbid Snail Biomphalaria Glabrata is a Pentagonal Dodecahedron (60 Subunits)
Plos One, 7, 2012
5OVT
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BU of 5ovt by Molmil
Thiobacillus denitrificans BPH in complex with Epoxomicin
Descriptor: BPH, Epoxomicin, PHOSPHATE ION
Authors:Fuchs, A.C.D, Albrecht, R, Martin, J, Hartmann, M.D.
Deposit date:2017-08-29
Release date:2017-12-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural characterization of the bacterial proteasome homolog BPH reveals a tetradecameric double-ring complex with unique inner cavity properties.
J. Biol. Chem., 293, 2018
1DRE
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BU of 1dre by Molmil
DIHYDROFOLATE REDUCTASE COMPLEXED WITH METHOTREXATE AND NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE (OXIDIZED FORM)
Descriptor: DIHYDROFOLATE REDUCTASE, METHOTREXATE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Sawaya, M.R, Kraut, J.
Deposit date:1996-11-28
Release date:1997-03-12
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Loop and subdomain movements in the mechanism of Escherichia coli dihydrofolate reductase: crystallographic evidence.
Biochemistry, 36, 1997
3PXU
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BU of 3pxu by Molmil
Crystal structure of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei bound to dephospho-coenzyme A
Descriptor: DEPHOSPHO COENZYME A, GLYCEROL, Phosphopantetheine adenylyltransferase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-12-10
Release date:2010-12-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structures of phosphopantetheine adenylyltransferase from Burkholderia pseudomallei.
Acta Crystallogr.,Sect.F, 67, 2011
3MF1
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BU of 3mf1 by Molmil
Crystal structure of class II aaRS homologue (Bll0957) complexed with an analogue of glycyl adenylate
Descriptor: 5'-O-(glycylsulfamoyl)adenosine, Bll0957 protein, ZINC ION
Authors:Weygand-Durasevic, I, Mocibob, M, Ivic, N, Bilokapic, S, Maier, T, Luic, M, Ban, N.
Deposit date:2010-04-01
Release date:2010-07-28
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Homologs of aminoacyl-tRNA synthetases acylate carrier proteins and provide a link between ribosomal and nonribosomal peptide synthesis
Proc.Natl.Acad.Sci.USA, 107, 2010
5THN
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BU of 5thn by Molmil
Crystal Structure of 2-Hydroxycyclohepta-2,4,6-triene-1-thione bound to human carbonic anhydrase 2
Descriptor: 2-hydroxycyclohepta-2,4,6-triene-1-thione, CITRIC ACID, Carbonic anhydrase 2, ...
Authors:Dick, B, Cohen, S.
Deposit date:2016-09-29
Release date:2017-04-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Effect of donor atom identity on metal-binding pharmacophore coordination.
J. Biol. Inorg. Chem., 22, 2017
2MPS
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BU of 2mps by Molmil
Structure of complex of MDM2(3-109) and P73 TAD(10-25)
Descriptor: E3 ubiquitin-protein ligase Mdm2, Tumor protein p73
Authors:Shin, J.S, Ha, J.H, Chi, S.W.
Deposit date:2014-06-02
Release date:2015-06-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structural convergence of unstructured p53 family transactivation domains in MDM2 recognition
Cell Cycle, 14, 2015
5AGE
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BU of 5age by Molmil
CRYSTAL STRUCTURE OF LEISHMANIA MAJOR N-MYRISTOYLTRANSFERASE (NMT) WITH BOUND MYRISTOYL-COA AND A BENZOMORPHOLINONE LIGAND
Descriptor: 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-7-[4-(1-methylpiperidin-4-yl)butyl]-2H-1,4-benzoxazin-3(4H)-one, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
Authors:Robinson, D.A, Spinks, D, Smith, V.C, Thompson, S, Smith, A, Torrie, L.S, McElroy, S.P, Brand, S, Brenk, R, Frearson, J.A, Read, K.D, Wyatt, P.G, Gilbert, I.H.
Deposit date:2015-01-29
Release date:2015-10-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of Small-Molecule Trypanosoma Brucei N-Myristoyltransferase Inhibitors: Discovery and Optimisation of a Novel Binding Mode.
Chemmedchem, 10, 2015
1WBQ
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BU of 1wbq by Molmil
ZnMg substituted aminopeptidase P from E. coli
Descriptor: CHLORIDE ION, MAGNESIUM ION, XAA-PRO AMINOPEPTIDASE, ...
Authors:Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M.
Deposit date:2004-11-05
Release date:2005-09-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center.
Biochemistry, 44, 2005
3KQ4
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BU of 3kq4 by Molmil
Structure of Intrinsic Factor-Cobalamin bound to its receptor Cubilin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Andersen, C.B.F, Madsen, M, Moestrup, S.K, Andersen, G.R.
Deposit date:2009-11-17
Release date:2010-03-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for receptor recognition of vitamin-B(12)-intrinsic factor complexes.
Nature, 464, 2010
4PE5
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BU of 4pe5 by Molmil
Crystal Structure of GluN1a/GluN2B NMDA Receptor Ion Channel
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol, ...
Authors:Karakas, E, Furukawa, H.
Deposit date:2014-04-22
Release date:2014-06-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.96 Å)
Cite:Crystal structure of a heterotetrameric NMDA receptor ion channel.
Science, 344, 2014

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數據於2024-09-11公開中

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