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6RTI
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BU of 6rti by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with aptamer A9g
Descriptor: (2S)-2-(PHOSPHONOMETHYL)PENTANEDIOIC ACID, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Motlova, L, Kolenko, P, Barinka, C.
Deposit date:2019-05-24
Release date:2020-06-10
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis of prostate-specific membrane antigen recognition by the A9g RNA aptamer.
Nucleic Acids Res., 48, 2020
4PN0
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BU of 4pn0 by Molmil
Structure of S. pombe Pct1 RNA triphosphatase
Descriptor: mRNA-capping enzyme subunit beta
Authors:Lima, C.D, Doamekpor, S.K.
Deposit date:2014-05-22
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Fission yeast RNA triphosphatase reads an Spt5 CTD code.
Rna, 21, 2015
4PN1
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BU of 4pn1 by Molmil
Structure of S. pombe Pct1 RNA triphosphatase in complex with the Spt5 CTD
Descriptor: 1,2-ETHANEDIOL, FORMIC ACID, Synthetic peptide, ...
Authors:Lima, C.D, Doamekpor, S.K.
Deposit date:2014-05-22
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:Fission yeast RNA triphosphatase reads an Spt5 CTD code.
Rna, 21, 2015
4W9Y
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BU of 4w9y by Molmil
X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a glutamyl sulfamide inhibitor CJC47
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:Pavlicek, J, Barinka, C.
Deposit date:2014-08-28
Release date:2015-09-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors.
J.Chem.Inf.Model., 2024
3MH9
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BU of 3mh9 by Molmil
Crystal structure of LprG mutant V91W from Mycobacterium tuberculosis
Descriptor: Lipoprotein lprG
Authors:Tsai, H.-C, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2010-04-07
Release date:2010-09-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.794 Å)
Cite:Mycobacterium tuberculosis lipoprotein LprG (Rv1411c) binds triacylated glycolipid agonists of Toll-like receptor 2.
Nat.Struct.Mol.Biol., 17, 2010
4PZ7
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BU of 4pz7 by Molmil
PCE1 guanylyltransferase
Descriptor: GLYCEROL, SULFATE ION, mRNA-capping enzyme subunit alpha
Authors:Doamekpor, S.K, Lima, C.D.
Deposit date:2014-03-28
Release date:2014-06-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.109 Å)
Cite:How an mRNA capping enzyme reads distinct RNA polymerase II and Spt5 CTD phosphorylation codes.
Genes Dev., 28, 2014
6O3Z
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BU of 6o3z by Molmil
Crystal structure of RORgt with 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide (compound 1)
Descriptor: 1,2-ETHANEDIOL, 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide, RAR-related orphan receptor C isoform a variant
Authors:Min, X, Wang, Z.
Deposit date:2019-02-27
Release date:2020-03-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of [1,2,4]Triazolo[1,5-a]pyridine Derivatives as Potent and Orally Bioavailable ROR gamma t Inverse Agonists.
Acs Med.Chem.Lett., 11, 2020
2GAT
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BU of 2gat by Molmil
SOLUTION STRUCTURE OF THE C-TERMINAL DOMAIN OF CHICKEN GATA-1 BOUND TO DNA, NMR, REGULARIZED MEAN STRUCTURE
Descriptor: DNA (5'-D(*AP*AP*TP*GP*TP*TP*TP*AP*TP*CP*TP*GP*CP*AP*AP*C)-3'), DNA (5'-D(*GP*TP*TP*GP*CP*AP*GP*AP*TP*AP*AP*AP*CP*AP*TP*T)-3'), ERYTHROID TRANSCRIPTION FACTOR GATA-1, ...
Authors:Clore, G.M, Tjandra, N, Starich, M, Omichinski, J.G, Gronenborn, A.M.
Deposit date:1997-11-07
Release date:1998-01-28
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Use of dipolar 1H-15N and 1H-13C couplings in the structure determination of magnetically oriented macromolecules in solution.
Nat.Struct.Biol., 4, 1997
4S0H
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BU of 4s0h by Molmil
TBX5 DB, NKX2.5 HD, ANF DNA Complex
Descriptor: 5'-D(*CP*CP*AP*CP*TP*TP*CP*AP*AP*AP*GP*GP*TP*GP*TP*GP*AP*GP*A)-3', 5'-D(*TP*CP*TP*CP*AP*CP*AP*CP*CP*TP*TP*TP*GP*AP*AP*GP*TP*GP*G)-3', Homeobox protein Nkx-2.5, ...
Authors:Pradhan, L.
Deposit date:2014-12-31
Release date:2015-12-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.817 Å)
Cite:Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5.
Biochemistry, 55, 2016
5BQD
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BU of 5bqd by Molmil
Crystal Structure of TBX5 (1-239) Dimer
Descriptor: MAGNESIUM ION, T-box transcription factor TBX5
Authors:Pradhan, L, Gopal, S, Patel, A, Kasahara, H, Nam, H.J.
Deposit date:2015-05-28
Release date:2016-03-16
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.583 Å)
Cite:Intermolecular Interactions of Cardiac Transcription Factors NKX2.5 and TBX5.
Biochemistry, 55, 2016
6O3T
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BU of 6o3t by Molmil
Structural basis of FOXC2 and DNA interactions
Descriptor: DNA (5'-D(*AP*AP*AP*TP*TP*GP*TP*TP*TP*AP*TP*AP*AP*AP*CP*AP*GP*CP*CP*CP*G)-3'), DNA (5'-D(*TP*TP*CP*GP*GP*GP*CP*TP*GP*TP*TP*TP*AP*TP*AP*AP*AP*CP*AP*AP*T)-3'), Forkhead box protein C2
Authors:Nam, H.-J, Li, S.
Deposit date:2019-02-27
Release date:2020-01-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.06 Å)
Cite:Crystal Structure of FOXC2 in Complex with DNA Target.
Acs Omega, 4, 2019
6RKH
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BU of 6rkh by Molmil
The crystal structure of AbnE (Selenium derivative), an arabino-oligosaccharide binding protein, in complex with arabinohexaose
Descriptor: Arabino-oligosaccharids-binding protein, CALCIUM ION, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose
Authors:Lansky, S, Salama, R, Shoham, Y, Shoham, G.
Deposit date:2019-04-30
Release date:2020-04-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.471 Å)
Cite:Carbohydrate-Binding Capability and Functional Conformational Changes of AbnE, an Arabino-oligosaccharide Binding Protein.
J.Mol.Biol., 432, 2020
6RL2
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BU of 6rl2 by Molmil
The crystal structure of AbnE, an arabino-oligosaccharide binding protein, in complex with arabinotetraose
Descriptor: Arabino-oligosaccharids-binding protein, CALCIUM ION, GLYCEROL, ...
Authors:Lansky, S, Salama, R, Shoham, Y, Shoham, G.
Deposit date:2019-05-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Carbohydrate-Binding Capability and Functional Conformational Changes of AbnE, an Arabino-oligosaccharide Binding Protein.
J.Mol.Biol., 432, 2020
6RKX
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BU of 6rkx by Molmil
The crystal structure of AbnE, an arabino-oligosaccharide binding protein, in complex with arabinopentaose
Descriptor: Arabino-oligosaccharids-binding protein, CALCIUM ION, GLYCEROL, ...
Authors:Lansky, S, Salama, R, Shoham, Y, Shoham, G.
Deposit date:2019-04-30
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.094 Å)
Cite:Carbohydrate-Binding Capability and Functional Conformational Changes of AbnE, an Arabino-oligosaccharide Binding Protein.
J.Mol.Biol., 432, 2020
6RJY
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BU of 6rjy by Molmil
The crystal structure of AbnE, an arabino-oligosaccharide binding protein, in complex with arabinobiose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Arabino-oligosaccharids-binding protein, CALCIUM ION, ...
Authors:Lansky, S, Salama, R, Shoham, Y, Shoham, G.
Deposit date:2019-04-29
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.621 Å)
Cite:Carbohydrate-Binding Capability and Functional Conformational Changes of AbnE, an Arabino-oligosaccharide Binding Protein.
J.Mol.Biol., 432, 2020
6RKL
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BU of 6rkl by Molmil
The crystal structure of AbnE, an arabino-oligosaccharide binding protein, in complex with arabinoheptaose
Descriptor: Arabino-oligosaccharids-binding protein, CALCIUM ION, GLYCEROL, ...
Authors:Lansky, S, Salama, R, Shoham, Y, Shoham, G.
Deposit date:2019-04-30
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Carbohydrate-Binding Capability and Functional Conformational Changes of AbnE, an Arabino-oligosaccharide Binding Protein.
J.Mol.Biol., 432, 2020
6RL1
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BU of 6rl1 by Molmil
The crystal structure of AbnE, an arabino-oligosaccharide binding protein, in complex with arabinotriose
Descriptor: Arabino-oligosaccharids-binding protein, CALCIUM ION, GLYCEROL, ...
Authors:Lansky, S, Salama, R, Shoham, Y, Shoham, G.
Deposit date:2019-05-01
Release date:2020-04-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Carbohydrate-Binding Capability and Functional Conformational Changes of AbnE, an Arabino-oligosaccharide Binding Protein.
J.Mol.Biol., 432, 2020
6IWB
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BU of 6iwb by Molmil
Crystal structure of a computationally designed protein (LD3) in complex with BCL-2
Descriptor: Apolipoprotein E, Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, SULFATE ION
Authors:Kim, S, Kwak, M.J, Oh, B.-H, Correia, B.E, Gainza, P.
Deposit date:2018-12-05
Release date:2019-12-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A computationally designed chimeric antigen receptor provides a small-molecule safety switch for T-cell therapy.
Nat.Biotechnol., 38, 2020
6K0T
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BU of 6k0t by Molmil
Crystal Structure of PPARgamma Ligand Binding Domain in complex with dibenzooxepine derivative compound-17
Descriptor: 3-[(1~{E})-1-[8-[(8-chloranyl-2-cyclopropyl-imidazo[1,2-a]pyridin-3-yl)methyl]-3-fluoranyl-6~{H}-benzo[c][1]benzoxepin-11-ylidene]ethyl]-4~{H}-1,2,4-oxadiazol-5-one, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha
Authors:Suzuki, M, Yamamoto, K, Takahashi, Y, Saito, J.
Deposit date:2019-05-07
Release date:2019-10-30
Last modified:2019-11-06
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Development of a novel class of peroxisome proliferator-activated receptor (PPAR) gamma ligands as an anticancer agent with a unique binding mode based on a non-thiazolidinedione scaffold.
Bioorg.Med.Chem., 27, 2019
6KQQ
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BU of 6kqq by Molmil
NSD1 SET domain in complex with BT3 and SAM
Descriptor: 2-azanyl-6-[(2-azanyl-4-oxidanyl-1,3-benzothiazol-6-yl)disulfanyl]-1,3-benzothiazol-4-ol, 2-azanyl-6-sulfanyl-1,3-benzothiazol-4-ol, CALCIUM ION, ...
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2019-08-18
Release date:2020-09-02
Last modified:2022-03-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Covalent inhibition of NSD1 histone methyltransferase.
Nat.Chem.Biol., 16, 2020
6KQP
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BU of 6kqp by Molmil
NSD1 SET domain in complex with SAM
Descriptor: Histone-lysine N-methyltransferase, H3 lysine-36 and H4 lysine-20 specific, S-ADENOSYLMETHIONINE, ...
Authors:Cho, H.J, Cierpicki, T.
Deposit date:2019-08-18
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Covalent inhibition of NSD1 histone methyltransferase.
Nat.Chem.Biol., 16, 2020
5JUE
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BU of 5jue by Molmil
Crystal Structure of UIC2 Fab
Descriptor: GLYCEROL, heavy chain of UIC2 Fab, light chain of UIC2 Fab
Authors:Xia, D, Esser, L.
Deposit date:2016-05-10
Release date:2016-08-31
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of the antigen-binding fragment of a monoclonal antibody specific for the multidrug-resistance-linked ABC transporter human P-glycoprotein.
Acta Crystallogr.,Sect.F, 72, 2016
5KO2
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BU of 5ko2 by Molmil
Mouse pgp 34 linker deleted mutant Hg derivative
Descriptor: MERCURY (II) ION, Multidrug resistance protein 1A
Authors:Xia, D, Esser, L, Zhou, F.
Deposit date:2016-06-29
Release date:2016-11-30
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity.
J. Biol. Chem., 292, 2017
5KOY
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BU of 5koy by Molmil
Mouse pgp 34 linker deleted bound with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Multidrug resistance protein 1A
Authors:Xia, D, Esser, L, Zhou, F.
Deposit date:2016-07-01
Release date:2016-12-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.85 Å)
Cite:Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity.
J. Biol. Chem., 292, 2017
5KPD
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BU of 5kpd by Molmil
Mouse pgp 34 linker deleted double EQ mutant
Descriptor: Multidrug resistance protein 1A
Authors:Xia, D, Esser, L, Zhou, F.
Deposit date:2016-07-03
Release date:2016-11-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Structures of the Multidrug Transporter P-glycoprotein Reveal Asymmetric ATP Binding and the Mechanism of Polyspecificity.
J. Biol. Chem., 292, 2017

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數據於2024-07-17公開中

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