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6ITY
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BU of 6ity by Molmil
CTX-M-64 sulbactam complex
Descriptor: ACRYLIC ACID, Beta-lactamase, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Authors:Cheng, Q, Chen, S.
Deposit date:2018-11-26
Release date:2019-10-30
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
5B64
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BU of 5b64 by Molmil
A novel binding mode of MAGUK GK domain revealed by DLG GK domain in complex with KIF13B MBS domain
Descriptor: DLG GK, GLYCEROL, Protein Kif13b, ...
Authors:Shang, Y, Zhu, J, Zhang, M.
Deposit date:2016-05-24
Release date:2016-10-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An Atypical MAGUK GK Target Recognition Mode Revealed by the Interaction between DLG and KIF13B
Structure, 24, 2016
3LRA
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BU of 3lra by Molmil
Structural Basis for Assembling a Human Tripartite Complex Dlg1-MPP7-Mals3
Descriptor: Disks large homolog 1, MAGUK p55 subfamily member 7, Protein lin-7 homolog C
Authors:Yang, X, Xie, X, Shen, Y, Long, J.
Deposit date:2010-02-10
Release date:2010-11-17
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for tandem L27 domain-mediated polymerization
Faseb J., 24, 2010
5KX9
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BU of 5kx9 by Molmil
Selective Small Molecule Inhibition of the FMN Riboswitch
Descriptor: (6P)-2-{(3S)-1-[(2-methoxypyrimidin-5-yl)methyl]piperidin-3-yl}-6-(thiophen-2-yl)pyrimidin-4-ol, FMN Riboswitch, MAGNESIUM ION, ...
Authors:Fischmann, T.O.
Deposit date:2016-07-20
Release date:2016-08-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Atomic resolution mechanistic studies of ribocil: A highly selective unnatural ligand mimic of the E. coli FMN riboswitch.
Rna Biol., 13, 2016
6EB0
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BU of 6eb0 by Molmil
STRUCTURE OF 4-HYDROXYPHENYLACETATE 3-MONOOXYGENASE (HPAB), OXYGENASE COMPONENT FROM ESCHERICHIA COLI
Descriptor: 4-hydroxyphenylacetate 3-monooxygenase, oxygenase subunit, ACETATE ION
Authors:Zhou, D, Kandavelu, P, Zhang, H, Wang, B.C, Yan, Y, Rose, J.
Deposit date:2018-08-03
Release date:2019-05-22
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural Insights into Catalytic Versatility of the Flavin-dependent Hydroxylase (HpaB) from Escherichia coli.
Sci Rep, 9, 2019
2QMK
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BU of 2qmk by Molmil
Human pancreatic alpha-amylase complexed with nitrite
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NITRITE ION, ...
Authors:Williams, L.K, Maurus, R, Brayer, G.D.
Deposit date:2007-07-16
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
2QV4
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BU of 2qv4 by Molmil
Human pancreatic alpha-amylase complexed with nitrite and acarbose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,6-dideoxy-4-{[(1S,4R,5R,6S)-4-{[alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl]oxy}-5,6-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose, CALCIUM ION, ...
Authors:Williams, L.K, Maurus, R, Brayer, G.D.
Deposit date:2007-08-07
Release date:2008-03-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Alternative catalytic anions differentially modulate human alpha-amylase activity and specificity
Biochemistry, 47, 2008
4DGP
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BU of 4dgp by Molmil
The wild-type Src homology 2 (SH2)-domain containing protein tyrosine phosphatase-2 (SHP2)
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y.
Deposit date:2012-01-26
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
4DGX
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BU of 4dgx by Molmil
LEOPARD Syndrome-Associated SHP2/Y279C mutant
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Yu, Z.H, Xu, J, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L.N, Liu, S.J, Zhang, Z.Y.
Deposit date:2012-01-27
Release date:2013-03-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Mechanistic Insights into LEOPARD Syndrome-Associated SHP2 Mutations.
J.Biol.Chem., 288, 2013
7T9U
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BU of 7t9u by Molmil
Crystal structure of hSTING with an agonist (SHR169224)
Descriptor: (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
Authors:Chowdhury, R, Miller, M.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
7T9V
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BU of 7t9v by Molmil
Crystal structure of hSTING with the agonist, SHR171032
Descriptor: (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
Authors:Chowdhury, R, Miller, M.
Deposit date:2021-12-20
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
4YDV
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BU of 4ydv by Molmil
STRUCTURE OF THE ANTIBODY 7B2 THAT CAPTURES HIV-1 VIRIONS
Descriptor: HIV ANTIBODY 7B2 HEAVY CHAIN,IgG H chain, HIV ANTIBODY 7B2 LIGHT CHAIN,Ig kappa chain C region, HIV GP41 PEPTIDE GP41(596-606)
Authors:Nicely, N.I, Pemble IV, C.W.
Deposit date:2015-02-23
Release date:2015-08-12
Last modified:2021-03-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Human Non-neutralizing HIV-1 Envelope Monoclonal Antibodies Limit the Number of Founder Viruses during SHIV Mucosal Infection in Rhesus Macaques.
Plos Pathog., 11, 2015
5YZ3
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BU of 5yz3 by Molmil
Crystal structure of T2R-TTL-28 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ...
Authors:Yu, Y, Chen, Q.
Deposit date:2017-12-12
Release date:2018-10-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.545 Å)
Cite:A Novel Microtubule Inhibitor Overcomes Multidrug Resistance in Tumors.
Cancer Res., 78, 2018
8ZBQ
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BU of 8zbq by Molmil
Local map of Omicron Subvariant JN.1 RBD with ACE2
Descriptor: Angiotensin-converting enzyme 2, Spike protein S2'
Authors:Yan, R.H, Yang, H.N.
Deposit date:2024-04-27
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural basis for the evolution and antibody evasion of SARS-CoV-2 BA.2.86 and JN.1 subvariants
Nat Commun, 15, 2024
5INW
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BU of 5inw by Molmil
Structure of reaction loop cleaved lamprey angiotensinogen
Descriptor: C-terminal peptide of Putative angiotensinogen, Putative angiotensinogen, SULFATE ION
Authors:Wei, H, Zhou, A.
Deposit date:2016-03-08
Release date:2016-10-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Heparin Binds Lamprey Angiotensinogen and Promotes Thrombin Inhibition through a Template Mechanism
J.Biol.Chem., 291, 2016
1JL4
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BU of 1jl4 by Molmil
CRYSTAL STRUCTURE OF THE HUMAN CD4 N-TERMINAL TWO DOMAIN FRAGMENT COMPLEXED TO A CLASS II MHC MOLECULE
Descriptor: H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, A-K ALPHA CHAIN, A-K BETA CHAIN, ...
Authors:Wang, J.-H, Meijers, R, Reinherz, E.L.
Deposit date:2001-07-15
Release date:2001-09-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (4.3 Å)
Cite:Crystal structure of the human CD4 N-terminal two-domain fragment complexed to a class II MHC molecule.
Proc.Natl.Acad.Sci.USA, 98, 2001
4S1G
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BU of 4s1g by Molmil
Renin in complex with (S)-1-(3-fluoro-5-(((S)-1-phenylethyl)carbamoyl)benzyl)-4-isopropyl-4-methyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide, Renin
Authors:Orth, P.
Deposit date:2015-01-13
Release date:2015-02-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Iminopyrimidinones: A novel pharmacophore for the development of orally active renin inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
3M16
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BU of 3m16 by Molmil
Structure of a Transaldolase from Oleispira antarctica
Descriptor: Transaldolase
Authors:Singer, A.U, Kagan, O, Zhang, R, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-03-04
Release date:2010-06-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
2QH1
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BU of 2qh1 by Molmil
Structure of TA289, a CBS-rubredoxin-like protein, in its Fe+2-bound state
Descriptor: FE (II) ION, Hypothetical protein Ta0289
Authors:Singer, A.U, Proudfoot, M, Brown, G, Xu, L, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-06-29
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biochemical and structural characterization of a novel family of cystathionine beta-synthase domain proteins fused to a Zn ribbon-like domain.
J.Mol.Biol., 375, 2008
2QMX
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BU of 2qmx by Molmil
The crystal structure of L-Phe inhibited prephenate dehydratase from Chlorobium tepidum TLS
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, PHENYLALANINE, ...
Authors:Tan, K, Li, H, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-07-17
Release date:2007-08-07
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of open (R) and close (T) states of prephenate dehydratase (PDT) - implication of allosteric regulation by L-phenylalanine.
J.Struct.Biol., 162, 2008
2X2I
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BU of 2x2i by Molmil
Crystal structure of the Gracilariopsis lemaneiformis alpha-1,4- glucan lyase with acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, GLYCEROL
Authors:Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W.
Deposit date:2010-01-13
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
1L8R
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BU of 1l8r by Molmil
Structure of the Retinal Determination Protein Dachshund Reveals a DNA-Binding Motif
Descriptor: Dachshund
Authors:Kim, S.S, Zhang, R, Braunstein, S.E, Joachimiak, A, Cvekl, A, Hegde, R.S.
Deposit date:2002-03-21
Release date:2002-06-26
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure of the retinal determination protein Dachshund reveals a DNA binding motif.
Structure, 10, 2002
2X2H
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BU of 2x2h by Molmil
Crystal structure of the Gracilariopsis lemaneiformis alpha-1,4- glucan lyase
Descriptor: ACETATE ION, ALPHA-1,4-GLUCAN LYASE ISOZYME 1, CHLORIDE ION, ...
Authors:Rozeboom, H.J, Yu, S, Madrid, S, Kalk, K.H, Dijkstra, B.W.
Deposit date:2010-01-13
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal Structure of Alpha-1,4-Glucan Lyase, a Unique Glycoside Hydrolase Family Member with a Novel Catalytic Mechanism.
J.Biol.Chem., 288, 2013
6IWI
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BU of 6iwi by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
Descriptor: MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ...
Authors:Zhang, X.L, Xu, Y.C.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.155 Å)
Cite:Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.
J.Med.Chem., 62, 2019
5YPR
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BU of 5ypr by Molmil
Crystal Structure of PSD-95 SH3-GK domain in complex with a synthesized inhibitor
Descriptor: Disks large homolog 4, Synthesized GK inhibitor
Authors:Zhu, J, Zhou, Q, Shang, Y, Weng, Z, Zhu, R, Zhang, M.
Deposit date:2017-11-02
Release date:2018-03-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Synaptic Targeting and Function of SAPAPs Mediated by Phosphorylation-Dependent Binding to PSD-95 MAGUKs.
Cell Rep, 21, 2017

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数据于2024-09-18公开中

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