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8CWA
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BU of 8cwa by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TC conformation, 53%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-18
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
4WC8
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BU of 4wc8 by Molmil
Heterogeneous dodecamer formed from macrocycles containing a sequence from beta-2-microglobulin(63-69).
Descriptor: CHLORIDE ION, ORN-TYR-LEU-LEU-PHI-TYR-THR-GLU-ORN-LYS-VAL-ALA-MAA-ALA-VAL-LYS, ORN-TYR-LEU-LEU-PHI-TYR-THR-GLU-ORN-LYS-VAL-ALA-MLE-ALA-VAL-LYS, ...
Authors:Spencer, R.K, Nowick, J.S.
Deposit date:2014-09-04
Release date:2015-05-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.908 Å)
Cite:X-ray Crystallographic Structures of Oligomers of Peptides Derived from beta 2-Microglobulin.
J.Am.Chem.Soc., 137, 2015
7UBF
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BU of 7ubf by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in 50% d6-DMSO and 50% water with cis/trans switching (CC conformation, 50%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBI
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BU of 7ubi by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in CDCl3 with cis/trans switching (TT conformation, 47%)
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBE
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BU of 7ube by Molmil
Solution NMR structure of 8-residue Rosetta-designed cyclic peptide D8.21 in d6-DMSO with cis/trans switching
Descriptor: Cyclic peptide D8.21 DVA-MLE-DPR-LEU-DVA-MLE-DPR-LEU
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8SZR
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BU of 8szr by Molmil
Dog DHX9 bound to ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RNA helicase, ...
Authors:Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A.
Deposit date:2023-05-30
Release date:2023-08-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
8SZQ
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BU of 8szq by Molmil
Cat DHX9 bound to ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A.
Deposit date:2023-05-30
Release date:2023-08-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.711 Å)
Cite:Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
8SZP
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BU of 8szp by Molmil
Human DHX9 bound to ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, ATP-dependent RNA helicase A, ...
Authors:Lee, Y.-T, Sickmier, E.A, Grigoriu, S, Boriack-Sjodin, P.A.
Deposit date:2023-05-30
Release date:2023-08-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Crystal structures of the DExH-box RNA helicase DHX9.
Acta Crystallogr D Struct Biol, 79, 2023
7JRH
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BU of 7jrh by Molmil
X-ray crystal structure of a cyclic peptide containing medin(19-25) and medin(31-37)
Descriptor: CALCIUM ION, Cyclic peptide ASP-GLN-TRP-MLE-GLN-VAL-ASP-ORD-GLU-VAL-THR-GLY-ILE-ILE-THR-ORD
Authors:Wierzbicki, M, Howitz, W.J, Nowick, J.S.
Deposit date:2020-08-12
Release date:2020-09-09
Last modified:2020-09-30
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:Interpenetrating Cubes in the X-ray Crystallographic Structure of a Peptide Derived from Medin 19-36 .
J.Am.Chem.Soc., 142, 2020
5W5U
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BU of 5w5u by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP141037 (P4)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-MLE-GLU-TYR-PHE-GLU-TRP-LEU-SER-BAL, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-15
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.461 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
5W6T
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BU of 5w6t by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with cyclic peptide CP151070 (P7)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-PH8-ORN-MLE-GLU-TYR-ZCL-GLU-TRP-LEU-SER-9WV, ...
Authors:Wilson, I.A, Kadam, R.U.
Deposit date:2017-06-16
Release date:2017-10-04
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Potent peptidic fusion inhibitors of influenza virus.
Science, 358, 2017
7UZL
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BU of 7uzl by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (B-TC conformation)
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-05-09
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBC
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BU of 7ubc by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in d6-DMSO with cis/trans switching
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Monteltione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
7UBG
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BU of 7ubg by Molmil
Solution NMR structure of 9-residue Rosetta-designed cyclic peptide D9.16 in CDCl3 with cis/trans switching (A-TT conformation)
Descriptor: Cyclic peptide D9.16 DPR-MAA-ALA-DVA-MLE-LEU-LEU-PRO-DLE
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T.
Deposit date:2022-03-14
Release date:2022-09-14
Last modified:2022-09-28
Method:SOLUTION NMR
Cite:Accurate de novo design of membrane-traversing macrocycles.
Cell, 185, 2022
8UN5
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BU of 8un5 by Molmil
KRAS-G13D-GDP in complex with Cpd38 ((E)-1-((3S)-4-(7-(6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl)-6-chloro-8-fluoro-2-(((S)-2-methylenetetrahydro-1H-pyrrolizin-7a(5H)-yl)methoxy)quinazolin-4-yl)-3-methylpiperazin-1-yl)-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one)
Descriptor: (2E)-1-{(3S)-4-[(7M)-7-[6-amino-4-methyl-3-(trifluoromethyl)pyridin-2-yl]-6-chloro-8-fluoro-2-{[(4R,7aS)-2-methylidenetetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}quinazolin-4-yl]-3-methylpiperazin-1-yl}-3-(1,2,3,4-tetrahydroisoquinolin-8-yl)prop-2-en-1-one, GLYCEROL, GTPase KRas, ...
Authors:Ultsch, M.H.
Deposit date:2023-10-18
Release date:2023-12-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Structure-Based Design and Evaluation of Reversible KRAS G13D Inhibitors.
Acs Med.Chem.Lett., 15, 2024
8AV2
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BU of 8av2 by Molmil
Crystal structure for the FnIII module of mouse LEP-R in complex with the anti-LEP-R nanobody VHH-4.80
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Leptin receptor, SULFATE ION, ...
Authors:Verstraete, K, Savvides, S.N, Verschueren, K.G, Tsirigotaki, A.
Deposit date:2022-08-26
Release date:2023-04-05
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Mechanism of receptor assembly via the pleiotropic adipokine Leptin.
Nat.Struct.Mol.Biol., 30, 2023
3QXC
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BU of 3qxc by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with ATP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-01
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3QXJ
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BU of 3qxj by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with GTP
Descriptor: 1,2-ETHANEDIOL, Dethiobiotin synthetase, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Klimecka, M.M, Porebski, P.J, Chruszcz, M, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-01
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3QY0
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BU of 3qy0 by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with GDP
Descriptor: 1,2-ETHANEDIOL, Dethiobiotin synthetase, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-02
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3QXH
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BU of 3qxh by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with ADP and 8-aminocaprylic acid
Descriptor: 1,2-ETHANEDIOL, 8-aminooctanoic acid, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Minor, C, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-01
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3QXS
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BU of 3qxs by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with ANP
Descriptor: 1,2-ETHANEDIOL, Dethiobiotin synthetase, MAGNESIUM ION, ...
Authors:Klimecka, M.M, Porebski, P.J, Chruszcz, M, Jablonska, K, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-02
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
3QXX
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BU of 3qxx by Molmil
Crystal structure of dethiobiotin synthetase (BioD) from Helicobacter pylori complexed with GDP and 8-aminocaprylic acid
Descriptor: 1,2-ETHANEDIOL, 8-aminooctanoic acid, Dethiobiotin synthetase, ...
Authors:Porebski, P.J, Klimecka, M.M, Chruszcz, M, Murzyn, K, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-03-02
Release date:2011-03-30
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural characterization of Helicobacter pylori dethiobiotin synthetase reveals differences between family members.
Febs J., 279, 2012
1M8Q
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BU of 1m8q by Molmil
Molecular Models of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle
Descriptor: Skeletal muscle Actin, Skeletal muscle Myosin II, Skeletal muscle Myosin II Essential Light Chain, ...
Authors:Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A.
Deposit date:2002-07-25
Release date:2002-09-10
Last modified:2022-12-21
Method:ELECTRON MICROSCOPY (70 Å)
Cite:Molecular modeling of averaged rigor crossbridges from tomograms of insect flight muscle.
J.Struct.Biol., 138, 2002
2IMQ
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BU of 2imq by Molmil
Crystal structure of ferrous cimex nitrophorin
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Salivary nitrophorin
Authors:Weichsel, A, Montfort, W.R.
Deposit date:2006-10-04
Release date:2007-08-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystallographic and spectroscopic characterization of ferrous complexes of cimex nitrophorin, a heme-thiolate protein from the bedbug
To be Published
5Z1R
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BU of 5z1r by Molmil
Crystal Structure Analysis of the BRD4
Descriptor: 1,2-ETHANEDIOL, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, Bromodomain-containing protein 4, ...
Authors:Xu, Y, Zhang, Y, Xiang, Q, Song, M, Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Y08060: A Selective BET Inhibitor for Treatment of Prostate Cancer.
Acs Med.Chem.Lett., 9, 2018

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