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1F9C
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BU of 1f9c by Molmil
CRYSTAL STRUCTURE OF MLE D178N VARIANT
Descriptor: MANGANESE (II) ION, PROTEIN (MUCONATE CYCLOISOMERASE I)
Authors:Kajander, T, Lehtio, L, Kahn, P.C, Goldman, A.
Deposit date:2000-07-10
Release date:2001-03-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Buried charged surface in proteins.
Structure Fold.Des., 8, 2000
1MUC
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BU of 1muc by Molmil
STRUCTURE OF MUCONATE LACTONIZING ENZYME AT 1.85 ANGSTROMS RESOLUTION
Descriptor: MANGANESE (II) ION, MUCONATE LACTONIZING ENZYME
Authors:Helin, S, Kahn, P.C, Guha, B.H.L, Mallows, D.J, Goldman, A.
Deposit date:1995-09-20
Release date:1996-07-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The refined X-ray structure of muconate lactonizing enzyme from Pseudomonas putida PRS2000 at 1.85 A resolution.
J.Mol.Biol., 254, 1995
3CT2
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BU of 3ct2 by Molmil
Crystal structure of muconate cycloisomerase from Pseudomonas fluorescens
Descriptor: MAGNESIUM ION, Muconate cycloisomerase
Authors:Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-04-11
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes.
Biochemistry, 48, 2009
2MNR
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BU of 2mnr by Molmil
MECHANISM OF THE REACTION CATALYZED BY MANDELATE RACEMASE. 2. CRYSTAL STRUCTURE OF MANDELATE RACEMASE AT 2.5 ANGSTROMS RESOLUTION: IDENTIFICATION OF THE ACTIVE SITE AND POSSIBLE CATALYTIC RESIDUES
Descriptor: MANDELATE RACEMASE, MANGANESE (II) ION, SULFATE ION
Authors:Neidhart, D.J, Petsko, G.A.
Deposit date:1993-07-06
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanism of the reaction catalyzed by mandelate racemase. 2. Crystal structure of mandelate racemase at 2.5-A resolution: identification of the active site and possible catalytic residues.
Biochemistry, 30, 1991
3DGB
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BU of 3dgb by Molmil
Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone
Descriptor: MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
Authors:Fedorov, A.A, Fedorov, E.V, Sauder, J.M, Burley, S.K, Gerlt, J.A, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-06-13
Release date:2009-03-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes
Biochemistry, 48, 2009
3FJ4
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BU of 3fj4 by Molmil
Crystal structure of muconate lactonizing enzyme from Pseudomonas Fluorescens complexed with muconolactone
Descriptor: MAGNESIUM ION, Muconate cycloisomerase, [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid
Authors:Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-12-14
Release date:2009-03-31
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of enzymatic activities in the enolase superfamily: stereochemically distinct mechanisms in two families of cis,cis-muconate lactonizing enzymes
Biochemistry, 48, 2009
8KC9
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BU of 8kc9 by Molmil
Human collagen prolyl processing enzyme complex, P3H1/CRTAP/PPIB heterotrimer, bound to cyclosporin A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cartilage-associated protein, DSN-MLE-MLE-MVA-BMT-ABA-SAR-MLE-VAL-MLE-ALA, ...
Authors:Li, W, Peng, J, Yao, D, Rao, B, Xia, Y, Wang, Q, Li, S, Cao, M, Shen, Y, Ma, P, Liao, R, Qin, A, Zhao, J, Cao, Y.
Deposit date:2023-08-06
Release date:2024-09-18
Method:ELECTRON MICROSCOPY (3.75 Å)
Cite:The structural basis for the collagen processing by human P3H1/CRTAP/PPIB ternary complex.
Nat Commun, 15, 2024
8CUN
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BU of 8cun 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:2022-05-17
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
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
8JJS
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BU of 8jjs by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ...
Authors:Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
Deposit date:2023-05-31
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.534 Å)
Cite:Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor.
J.Am.Chem.Soc., 145, 2023
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
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
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
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
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
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:2024-10-16
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
5W5Q
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BU of 5w5q by Molmil
MAP4K4 in complex with inhibitor compound 12 (N3-methyl-10-(3-methyl-3-(5-methyloxazol-2-yl)but-1-yn-1-yl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide)
Descriptor: (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase kinase 4
Authors:Harris, S.F, Wu, P.
Deposit date:2017-06-15
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019

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數據於2024-10-16公開中

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