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7XEO
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BU of 7xeo by Molmil
MbetaCD treated state of mTRPV2
Descriptor: Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEV
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BU of 7xev by Molmil
Structure of mTRPV2_2-APB
Descriptor: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEU
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BU of 7xeu by Molmil
Structure of mTRPV2_E2
Descriptor: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.77 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XEW
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BU of 7xew by Molmil
Structure of mTRPV2_Q525F
Descriptor: Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
7XER
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BU of 7xer by Molmil
Structure of mTRPV2_Q525T
Descriptor: CHOLESTEROL, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-03-31
Release date:2022-08-17
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (2.47 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
3AXA
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BU of 3axa by Molmil
Crystal structure of afadin PDZ domain in complex with the C-terminal peptide from nectin-3
Descriptor: Afadin, Nectin-3
Authors:Fujiwara, Y, Goda, N, Narita, H, Satomura, K, Nakagawa, A, Sakisaka, T, Suzuki, M, Hiroaki, H.
Deposit date:2011-03-31
Release date:2012-04-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Crystal structure of afadin PDZ domain-nectin-3 complex shows the structural plasticity of the ligand-binding site.
Protein Sci., 24, 2015
7YEP
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BU of 7yep by Molmil
2-APB bound state of mTRPV2
Descriptor: 2-aminoethyl diphenylborinate, Transient receptor potential cation channel subfamily V member 2
Authors:Su, N.
Deposit date:2022-07-06
Release date:2022-08-17
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural mechanisms of TRPV2 modulation by endogenous and exogenous ligands.
Nat.Chem.Biol., 19, 2023
3GOT
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BU of 3got by Molmil
Guanine riboswitch C74U mutant bound to 2-fluoroadenine.
Descriptor: 2-fluoroadenine, ACETATE ION, COBALT HEXAMMINE(III), ...
Authors:Gilbert, S.D, Reyes, F.E, Batey, R.T.
Deposit date:2009-03-20
Release date:2009-06-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Adaptive ligand binding by the purine riboswitch in the recognition of Guanine and adenine analogs
Structure, 17, 2009
2OLB
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BU of 2olb by Molmil
OLIGOPEPTIDE BINDING PROTEIN (OPPA) COMPLEXED WITH TRI-LYSINE
Descriptor: ACETATE ION, OLIGO-PEPTIDE BINDING PROTEIN, TRIPEPTIDE LYS-LYS-LYS, ...
Authors:Tame, J, Wilkinson, A.J.
Deposit date:1995-09-10
Release date:1996-01-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystal structures of the oligopeptide-binding protein OppA complexed with tripeptide and tetrapeptide ligands.
Structure, 3, 1995
1M1X
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BU of 1m1x by Molmil
CRYSTAL STRUCTURE OF THE EXTRACELLULAR SEGMENT OF INTEGRIN ALPHA VBETA3 BOUND TO MN2+
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xiong, J.-P, Stehle, T, Zhang, R, Joachimiak, A, Frech, M, Goodman, S.L, Arnaout, M.A.
Deposit date:2002-06-20
Release date:2002-08-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Crystal structure of the extracellular segment of integrin alpha Vbeta3 in complex with an Arg-Gly-Asp ligand.
Science, 296, 2002
4RPQ
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BU of 4rpq by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure at 1.20 A (1)
Descriptor: ({3-[(3-nitrobenzyl)carbamoyl]biphenyl-4-yl}oxy)acetic acid, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-10-31
Release date:2015-11-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Aldose Reductase: IDD ligands under investigation
To be Published
2HB4
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BU of 2hb4 by Molmil
Structure of HIV Protease NL4-3 in an Unliganded State
Descriptor: MAGNESIUM ION, Protease, R-1,2-PROPANEDIOL
Authors:Heaslet, H, Tam, K, Elder, J.H, Stout, C.D.
Deposit date:2006-06-13
Release date:2007-06-26
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conformational flexibility in the flap domains of ligand-free HIV protease.
Acta Crystallogr.,Sect.D, 63, 2007
2XO0
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BU of 2xo0 by Molmil
xpt-pbuX C74U Riboswitch from B. subtilis bound to 24-diamino-1,3,5- triazine identified by virtual screening
Descriptor: 1,3,5-TRIAZINE-2,4-DIAMINE, ACETATE ION, COBALT HEXAMMINE(III), ...
Authors:Daldrop, P, Reyes, F.E, Robinson, D.A, Hammond, C.M, Lilley, D.M.J, Batey, R.T, Brenk, R.
Deposit date:2010-08-09
Release date:2011-04-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Novel ligands for a purine riboswitch discovered by RNA-ligand docking.
Chem. Biol., 18, 2011
3GUP
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BU of 3gup by Molmil
T4 lysozyme M102E/L99A mutant with buried charge in apolar cavity--pyridine binding
Descriptor: CARBONATE ION, CHLORIDE ION, Lysozyme, ...
Authors:Liu, L, Matthews, B.W.
Deposit date:2009-03-30
Release date:2009-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Use of stabilizing mutations to engineer a charged group within a ligand-binding hydrophobic cavity in T4 lysozyme.
Biochemistry, 48, 2009
6LW5
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BU of 6lw5 by Molmil
Crystal structure of the human formyl peptide receptor 2 in complex with WKYMVm
Descriptor: CHOLESTEROL, Soluble cytochrome b562,N-formyl peptide receptor 2, TRP-LYS-TYR-MET-VAL-QXV
Authors:Chen, T, Zong, X, Zhang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2020-02-07
Release date:2020-03-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis of ligand binding modes at the human formyl peptide receptor 2.
Nat Commun, 11, 2020
6QVO
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BU of 6qvo by Molmil
Crystal structure of human MTH1 in complex with N6-methyl-dAMP
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE, ...
Authors:Scaletti, E, Vallin, K.S, Brautigam, L, Sarno, A, Warpman Berglund, U, Helleday, T, Stenmark, P, Jemth, A.S.
Deposit date:2019-03-04
Release date:2020-03-18
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:MutT homologue 1 (MTH1) removes N6-methyl-dATP from the dNTP pool.
J.Biol.Chem., 295, 2020
8GAG
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BU of 8gag by Molmil
Cannabinoid receptor 1-Gi complex with novel ligand
Descriptor: Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Tummino, T.A, Iliopoulos-Tsoutsouvas, C, Braz, J.M, O'Brien, E.S, Krishna Kumar, K, Makriyannis, M, Basbaum, A.I, Shoichet, B.K.
Deposit date:2023-02-22
Release date:2024-02-28
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cannabinoid receptor 1-Gi complex with novel ligand
To Be Published
6QT3
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BU of 6qt3 by Molmil
Radiation damage study on a 16mer DNA segment, structure at 12.0 MGy dose
Descriptor: CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*AP*AP*TP*TP*TP*CP*CP*AP*GP*C)-3')
Authors:Bugris, V, Harmat, V, Ferenc, G, Brockhauser, S, Carmichael, I, Garman, E.F.
Deposit date:2019-02-22
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Radiation-damage investigation of a DNA 16-mer.
J.Synchrotron Radiat., 26, 2019
6EEY
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BU of 6eey by Molmil
Crystal structure of human Scribble PDZ4 R1110G Mutant
Descriptor: Protein scribble homolog
Authors:Janezic, E.M, Hsu, P, Hague, C.
Deposit date:2018-08-15
Release date:2019-10-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.145 Å)
Cite:Scribble co-operatively binds multiple alpha1D-adrenergic receptor C-terminal PDZ ligands.
Sci Rep, 9, 2019
5VQL
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BU of 5vql by Molmil
X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with a inverse agonist and SRC2 peptide
Descriptor: 5'-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-N-{[4-(ethylsulfonyl)phenyl]methyl}spiro[cyclopentane-1,3'-pyrrolo[3,2-b]pyridine]-1'(2'H)-carboxamide, Nuclear receptor ROR-gamma, SRC2 chimera, ...
Authors:Li, X.
Deposit date:2017-05-09
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:X-ray co-structure of nuclear receptor ROR-gammat Ligand Binding Domain with a inverse agonist and SRC2 peptide
To Be Published
3EM2
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BU of 3em2 by Molmil
A bimolecular anti-parallel-stranded Oxytricha nova telomeric quadruplex in complex with a 3,6-disubstituted acridine BSU-6038
Descriptor: 3,6-Bis[(3-morpholinopropionamido)] acridine, 5'-D(*DGP*DGP*DGP*DGP*DTP*DTP*DTP*DTP*DGP*DGP*DGP*DG)-3', POTASSIUM ION
Authors:Campbell, N.H, Parkinson, G, Neidle, S.
Deposit date:2008-09-23
Release date:2008-10-14
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Selectivity in Ligand Recognition of G-Quadruplex Loops.
Biochemistry, 48, 2009
5VT3
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BU of 5vt3 by Molmil
High resolution structure of thioredoxin-disulfide reductase from Vibrio vulnificus CMCP6 in complex with NADP and FAD
Descriptor: CACODYLATE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Chang, C, Grimshaw, S, Maltseva, N, Mulligan, R, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-05-15
Release date:2017-05-31
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:High resolution structure of thioredoxin-disulfide reductase from Vibrio vulnificus CMCP6 in complex with NADP and FAD
To Be Published
8H2I
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BU of 8h2i by Molmil
Near-atomic structure of five-fold averaged PBCV-1 capsid
Descriptor: MCPv1, MCPv2, MCPv3, ...
Authors:Shao, Q, Agarkova, I.V, Noel, E.A, Dunigan, D.D, Liu, Y, Wang, A, Guo, M, Xie, L, Zhao, X, Rossmann, M.G, Van Etten, J.L, Klose, T, Fang, Q.
Deposit date:2022-10-06
Release date:2022-11-16
Last modified:2023-09-06
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Near-atomic, non-icosahedrally averaged structure of giant virus Paramecium bursaria chlorella virus 1.
Nat Commun, 13, 2022
4U5L
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BU of 4u5l by Molmil
IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR
Descriptor: Importin subunit alpha-1, N~2~-[4-(pyridin-3-yl)benzyl]-L-lysinamide
Authors:Stewart, M, Valkov, E, Holvey, R.S.
Deposit date:2014-07-25
Release date:2015-05-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design.
Chemmedchem, 10, 2015
4U5V
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BU of 4u5v by Molmil
IMPORTIN-ALPHA MINOR NLS SITE INHIBITOR
Descriptor: Importin subunit alpha-1, N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide
Authors:Stewart, M, Valkov, E, Holvey, R.S.
Deposit date:2014-07-25
Release date:2015-05-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.968 Å)
Cite:Selective Targeting of the TPX2 Site of Importin-alpha Using Fragment-Based Ligand Design.
Chemmedchem, 10, 2015

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数据于2024-09-04公开中

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