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3DSW
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BU of 3dsw by Molmil
Crystal structure of RabGGTase(DELTA LRR; DELTA IG)in complex with mono-prenylated peptide Ser-Cys(GG)-Ser-Cys derivated from Rab7
Descriptor: CALCIUM ION, GERAN-8-YL GERAN, Geranylgeranyl transferase type-2 subunit alpha, ...
Authors:Guo, Z, Yu, S, Goody, R.S, Alexandrov, K, Blankenfeldt, W.
Deposit date:2008-07-14
Release date:2008-09-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of RabGGTase-substrate/product complexes provide insights into the evolution of protein prenylation
Embo J., 27, 2008
4Y5G
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BU of 4y5g by Molmil
Endothiapepsin in complex with fragment 272
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
to be published
3DHK
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BU of 3dhk by Molmil
Bisphenylic Thrombin Inhibitors
Descriptor: Hirudin variant-1, SODIUM ION, Thrombin heavy chain, ...
Authors:Baum, B, Heine, A, Klebe, G.
Deposit date:2008-06-18
Release date:2009-05-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
1LPF
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BU of 1lpf by Molmil
THREE-DIMENSIONAL STRUCTURE OF LIPOAMIDE DEHYDROGENASE FROM PSEUDOMONAS FLUORESCENS AT 2.8 ANGSTROMS RESOLUTION. ANALYSIS OF REDOX AND THERMOSTABILITY PROPERTIES
Descriptor: DIHYDROLIPOAMIDE DEHYDROGENASE, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Mattevi, A, Hol, W.
Deposit date:1992-10-26
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Three-dimensional structure of lipoamide dehydrogenase from Pseudomonas fluorescens at 2.8 A resolution. Analysis of redox and thermostability properties.
J.Mol.Biol., 230, 1993
6XR5
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BU of 6xr5 by Molmil
Crystal Structure of Diphosphomevalonate decarboxylase (MVD1) Cryptococcus neoformans var. grubii serotype A
Descriptor: 1,2-ETHANEDIOL, ADENINE, Diphosphomevalonate decarboxylase, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2020-07-11
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal Structure of Diphosphomevalonate decarboxylase (MVD1) from Cryptococcus neoformans var. grubii serotype A
to be published
2VVL
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BU of 2vvl by Molmil
The structure of MAO-N-D3, a variant of monoamine oxidase from Aspergillus niger.
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, MONOAMINE OXIDASE N
Authors:Atkin, K.E, Hart, S, Turkenburg, J.P, Brzozowski, A.M, Grogan, G.J.
Deposit date:2008-06-10
Release date:2008-11-04
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The Structure of Monoamine Oxidase from Aspergillus Niger Provides a Molecular Context for Improvements in Activity Obtained by Directed Evolution.
J.Mol.Biol., 384, 2008
4YCD
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BU of 4ycd by Molmil
Structure of a single tryptophan mutant of Acetobacter aceti PurE with Y154F
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, N5-carboxyaminoimidazole ribonucleotide mutase, ...
Authors:Kappock, T.J, Sullivan, K.L.
Deposit date:2015-02-19
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.643 Å)
Cite:Structure of a single tryptophan mutant of Acetobacter aceti PurE
To Be Published
5C8U
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BU of 5c8u by Molmil
Crystal structure of the SARS coronavirus nsp14-nsp10 complex
Descriptor: Guanine-N7 methyltransferase, MAGNESIUM ION, Non-structural protein 10, ...
Authors:Ma, Y.Y, Wu, L.J, Zhang, R.G, Rao, Z.H.
Deposit date:2015-06-26
Release date:2015-07-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.401 Å)
Cite:Structural basis and functional analysis of the SARS coronavirus nsp14-nsp10 complex
Proc.Natl.Acad.Sci.USA, 112, 2015
4YCO
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BU of 4yco by Molmil
E. coli dihydrouridine synthase C (DusC) in complex with tRNAPhe
Descriptor: FLAVIN MONONUCLEOTIDE, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Byrne, R.T, Jenkins, H.T, Peters, D.T, Whelan, F, Stowell, J, Aziz, N, Kasatsky, P, Rodnina, M.V, Koonin, E.V, Konevega, A.L, Antson, A.A.
Deposit date:2015-02-20
Release date:2015-04-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Major reorientation of tRNA substrates defines specificity of dihydrouridine synthases.
Proc.Natl.Acad.Sci.USA, 112, 2015
1KZC
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BU of 1kzc by Molmil
Complex of MBP-C and high-affinity linear trimannose
Descriptor: CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN C, ...
Authors:Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I.
Deposit date:2002-02-06
Release date:2002-07-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
2WDZ
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BU of 2wdz by Molmil
Crystal structure of the short chain dehydrogenase Galactitol- Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD+ and 1,2-Pentandiol
Descriptor: (2S)-pentane-1,2-diol, MAGNESIUM ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Carius, Y, Christian, H, Faust, A, Kornberger, P, Kohring, G.W, Giffhorn, F, Scheidig, A.J.
Deposit date:2009-03-27
Release date:2010-03-31
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insight Into Substrate Differentiation of the Sugar-Metabolizing Enzyme Galactitol Dehydrogenase from Rhodobacter Sphaeroides D.
J.Biol.Chem., 285, 2010
6XXE
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BU of 6xxe by Molmil
CryoEM structure of the type IV pilin PilA5 from Thermus thermophilus
Descriptor: Uncharacterized protein
Authors:Neuhaus, A, Gold, V.A.M.
Deposit date:2020-01-27
Release date:2020-03-11
Last modified:2020-05-20
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Cryo-electron microscopy reveals two distinct type IV pili assembled by the same bacterium.
Nat Commun, 11, 2020
6XXR
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BU of 6xxr by Molmil
ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDEA-NH2
Descriptor: Ac-[2-Cl-F]-PPPPTEDEA-NH2, NITRATE ION, Protein enabled homolog
Authors:Barone, M, Le Cong, K, Roske, Y.
Deposit date:2020-01-28
Release date:2020-11-04
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells.
Proc.Natl.Acad.Sci.USA, 117, 2020
5CNS
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BU of 5cns by Molmil
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to CDP and dATP at 2.97 Angstroms resolution
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, ...
Authors:Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L.
Deposit date:2015-07-18
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.975 Å)
Cite:Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
4JSN
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BU of 4jsn by Molmil
structure of mTORdeltaN-mLST8 complex
Descriptor: Serine/threonine-protein kinase mTOR, Target of rapamycin complex subunit LST8
Authors:Pavletich, N.P.
Deposit date:2013-03-22
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:mTOR kinase structure, mechanism and regulation.
Nature, 497, 2013
4YEE
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BU of 4yee by Molmil
beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) in complex with glucosyl-beta-cyclodextrin
Descriptor: 5'-AMP-activated protein kinase subunit beta-2, Cyclic alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-[alpha-D-glucopyranose-(1-6)]alpha-D-glucopyranose, GLYCEROL
Authors:Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M.
Deposit date:2015-02-24
Release date:2015-04-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase.
Biochem.J., 468, 2015
4JUR
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BU of 4jur by Molmil
Crystal structure of the effector Tae4 from Salmonella typhimurium in complex with the immunity Tai4 from Enterobacter cloacae
Descriptor: Putative cytoplasmic protein, Uncharacterized protein
Authors:Zhang, H, Gao, Z.Q, Dong, Y.H.
Deposit date:2013-03-25
Release date:2014-02-05
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into the cross-immunity mechanism within effector families of bacteria type VI secretion system from the structure of StTae4-EcTai4 complex
Plos One, 8, 2013
6XCC
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BU of 6xcc by Molmil
Structure of the C. botulinum neurotoxin serotype A light chain protease in complex with covalent inhibitor 21
Descriptor: Botulinum neurotoxin type A, N-hydroxy-5-sulfanylpentanamide, ZINC ION
Authors:Tararina, M.A, Allen, K.N.
Deposit date:2020-06-08
Release date:2020-09-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Catch and Anchor Approach To Combat Both Toxicity and Longevity of Botulinum Toxin A.
J.Med.Chem., 63, 2020
6XCN
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BU of 6xcn by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the C105 neutralizing antibody Fab fragment (state 2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Barnes, C.O, Bjorkman, P.J.
Deposit date:2020-06-08
Release date:2020-07-01
Last modified:2020-09-02
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structures of Human Antibodies Bound to SARS-CoV-2 Spike Reveal Common Epitopes and Recurrent Features of Antibodies.
Cell, 182, 2020
5CFK
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BU of 5cfk by Molmil
Crystal structure of Proliferating Cell Nuclear Antigen from Leishmania donovani at 3.2 A resolution
Descriptor: Proliferating cell nuclear antigen,Proliferating cell nuclear antigen
Authors:Shukla, P.K, Yadav, S.P, Sharma, P, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2015-07-08
Release date:2015-10-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structure of Proliferating Cell Nuclear Antigen from Leishmania donovani at 3.2 A resolution
To Be Published
4JL9
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BU of 4jl9 by Molmil
Crystal structure of mouse TBK1 bound to BX795
Descriptor: N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide, Serine/threonine-protein kinase TBK1
Authors:Li, P, Shu, C.
Deposit date:2013-03-12
Release date:2013-06-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.0999 Å)
Cite:Structural Insights into the Functions of TBK1 in Innate Antimicrobial Immunity.
Structure, 21, 2013
6ASF
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BU of 6asf by Molmil
NMR and Restrained Molecular Dynamics Determination of the Structure of an Aza-Benzimidazole Derivative Complex with the DNA Minor Groove of an -AAGATA- Sequence
Descriptor: DNA (5'-D(*CP*CP*AP*AP*GP*AP*TP*AP*G)-3'), DNA (5'-D(*CP*TP*AP*TP*CP*TP*TP*GP*G)-3')
Authors:Harika, N.K, Germann, M.W, Boykin, D.W.
Deposit date:2017-08-24
Release date:2018-01-31
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:First Structure of a Designed Minor Groove Binding Heterocyclic Cation that Specifically Recognizes Mixed DNA Base Pair Sequences.
Chemistry, 23, 2017
1KZB
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BU of 1kzb by Molmil
Complex of MBP-C and trimannosyl core
Descriptor: CALCIUM ION, MANNOSE-BINDING PROTEIN C, alpha-D-mannopyranose
Authors:Ng, K.K, Kolatkar, A.R, Park-Snyder, S, Feinberg, H, Clark, D.A, Drickamer, K, Weis, W.I.
Deposit date:2002-02-06
Release date:2002-07-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Orientation of bound ligands in mannose-binding proteins. Implications for multivalent ligand recognition.
J.Biol.Chem., 277, 2002
5CGC
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BU of 5cgc by Molmil
Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ...
Authors:Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M.
Deposit date:2015-07-09
Release date:2015-08-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.101 Å)
Cite:Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
5C9I
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BU of 5c9i by Molmil
Structure of N-acylhomoserine lactone acylase MacQ shortened spacer mutant (delta202-208) in uncleaved form
Descriptor: GLYCEROL, Protein related to penicillin acylase
Authors:Yasutake, Y, Kusada, H, Kimura, N.
Deposit date:2015-06-27
Release date:2016-06-29
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bifunctional quorum-quenching and antibiotic-acylase MacQ forms a 170-kDa capsule-shaped molecule containing spacer polypeptides
Sci Rep, 7, 2017

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数据于2024-09-25公开中

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