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1SPD
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BU of 1spd by Molmil
AMYOTROPHIC LATERAL SCLEROSIS AND STRUCTURAL DEFECTS IN CU,ZN SUPEROXIDE DISMUTASE
Descriptor: COPPER (II) ION, SUPEROXIDE DISMUTASE, ZINC ION
Authors:Parge, H.E, Tainer, J.A.
Deposit date:1993-07-21
Release date:1994-04-30
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Amyotrophic lateral sclerosis and structural defects in Cu,Zn superoxide dismutase.
Science, 261, 1993
5TZR
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BU of 5tzr by Molmil
GPR40 in complex with partial agonist MK-8666
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, Free fatty acid receptor 1,Endolysin,Free fatty acid receptor 1, ...
Authors:Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M.
Deposit date:2016-11-22
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
5UC6
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BU of 5uc6 by Molmil
Structural insights into IL-1 alpha recognition by a naphthyl-modified aptamer that mimics IL-1RI Domain III
Descriptor: DNA (5'-D(*CP*G)-R(P*(85Y))-D(P*GP*AP*G)-R(P*(85Y)P*(85Y))-D(P*A)-R(P*(85Y))-D(P*GP*GP*G)-R(P*(85Y)P*(85Y))-D(P*AP*GP*AP*G)-R(P*(85Y))-D(P*CP*GP*(ATD))-3'), Interleukin-1 alpha, MAGNESIUM ION, ...
Authors:Ren, X, Pyle, A.
Deposit date:2016-12-21
Release date:2017-10-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for IL-1 alpha recognition by a modified DNA aptamer that specifically inhibits IL-1 alpha signaling.
Nat Commun, 8, 2017
1UD1
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BU of 1ud1 by Molmil
Crystal structure of proglycinin mutant C88S
Descriptor: Glycinin G1
Authors:Utsumi, S, Adachi, M.
Deposit date:2003-04-24
Release date:2004-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structures and Structural Stabilities of the Disulfide Bond-Deficient Soybean Proglycinin Mutants C12G and C88S.
J.Agric.Food Chem., 51, 2003
5TTO
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BU of 5tto by Molmil
X-ray crystal structure of PPARgamma in complex with SR1643
Descriptor: 4-bromo-N-{3,5-dichloro-4-[(quinolin-3-yl)oxy]phenyl}-2,5-difluorobenzene-1-sulfonamide, Peroxisome proliferator-activated receptor gamma
Authors:Bruning, J.B, Frkic, R.L, Griffin, P, Kamenecka, T, Abell, A.
Deposit date:2016-11-04
Release date:2017-05-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.246 Å)
Cite:Structure-Activity Relationship of 2,4-Dichloro-N-(3,5-dichloro-4-(quinolin-3-yloxy)phenyl)benzenesulfonamide (INT131) Analogs for PPAR gamma-Targeted Antidiabetics.
J. Med. Chem., 60, 2017
1UCX
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BU of 1ucx by Molmil
Crystal structure of proglycinin C12G mutant
Descriptor: Glycinin G1
Authors:Utsumi, S, Adachi, M.
Deposit date:2003-04-24
Release date:2004-02-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structures and Structural Stabilities of the Disulfide Bond-Deficient Soybean Proglycinin Mutants C12G and C88S.
J.Agric.Food Chem., 51, 2003
5V18
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BU of 5v18 by Molmil
Structure of PHD2 in complex with 1,2,4-Triazolo-[1,5-a]pyridine
Descriptor: 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile, Egl nine homolog 1, FE (II) ION, ...
Authors:Skene, R.J.
Deposit date:2017-03-01
Release date:2017-06-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction.
J. Med. Chem., 60, 2017
5TIL
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BU of 5til by Molmil
Murine class I major histocompatibility complex H-2 Db in complex with LCMV-derived GP33 altered peptide V3P and T-cell receptor P14
Descriptor: Alpha chain of murine P14 T cell receptor, Beta chain of murine T cell receptor P14, Beta-2-microglobulin, ...
Authors:Achour, A, Sandalova, T, Allerbring, E.B.
Deposit date:2016-10-03
Release date:2017-11-01
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Ternary complexes of TCR P14 give insights into the mechanisms behind reestablishment of CTL responses against a viral escape mutant
To be published
1UDB
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BU of 1udb by Molmil
STRUCTURE OF UDP-GALACTOSE-4-EPIMERASE COMPLEXED WITH UDP-4-DEOXY-4-FLUORO-ALPHA-D-GLUCOSE
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Thoden, J.B, Holden, H.M.
Deposit date:1997-01-06
Release date:1998-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural analysis of UDP-sugar binding to UDP-galactose 4-epimerase from Escherichia coli.
Biochemistry, 36, 1997
5TL6
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BU of 5tl6 by Molmil
Crystal structure of SARS-CoV papain-like protease in complex with the C-terminal domain of human ISG15
Descriptor: Replicase polyprotein 1ab, SULFATE ION, Ubiquitin-like protein ISG15, ...
Authors:Dzimianski, J.V, Daczkowski, C.M, Pegan, S.D.
Deposit date:2016-10-10
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.618 Å)
Cite:Structural Insights into the Interaction of Coronavirus Papain-Like Proteases and Interferon-Stimulated Gene Product 15 from Different Species.
J. Mol. Biol., 429, 2017
1UDC
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BU of 1udc by Molmil
STRUCTURE OF UDP-GALACTOSE-4-EPIMERASE COMPLEXED WITH UDP-MANNOSE
Descriptor: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Thoden, J.B, Holden, H.M.
Deposit date:1997-01-06
Release date:1998-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural analysis of UDP-sugar binding to UDP-galactose 4-epimerase from Escherichia coli.
Biochemistry, 36, 1997
1UDA
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BU of 1uda by Molmil
STRUCTURE OF UDP-GALACTOSE-4-EPIMERASE COMPLEXED WITH UDP-4-DEOXY-4-FLUORO-ALPHA-D-GALACTOSE
Descriptor: 1,2-ETHANEDIOL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Thoden, J.B, Holden, H.M.
Deposit date:1997-01-06
Release date:1998-01-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of UDP-sugar binding to UDP-galactose 4-epimerase from Escherichia coli.
Biochemistry, 36, 1997
5TLA
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BU of 5tla by Molmil
Crystal structure of mouse ISG15
Descriptor: Ubiquitin-like protein ISG15
Authors:Goodwin, O.Y, Dzimianski, J.V, Daczkowski, C.M, Pegan, S.D.
Deposit date:2016-10-10
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.244 Å)
Cite:Structural Insights into the Interaction of Coronavirus Papain-Like Proteases and Interferon-Stimulated Gene Product 15 from Different Species.
J. Mol. Biol., 429, 2017
5TQP
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BU of 5tqp by Molmil
LIPOXYGENASE-1 (SOYBEAN) I553G MUTANT AT 300K
Descriptor: FE (III) ION, Seed linoleate 13S-lipoxygenase-1
Authors:Poss, E.M, Fraser, J.S.
Deposit date:2016-10-24
Release date:2017-11-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Hydrogen-Deuterium Exchange of Lipoxygenase Uncovers a Relationship between Distal, Solvent Exposed Protein Motions and the Thermal Activation Barrier for Catalytic Proton-Coupled Electron Tunneling.
ACS Cent Sci, 3, 2017
5TZY
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BU of 5tzy by Molmil
GPR40 in complex with AgoPAM AP8 and partial agonist MK-8666
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S,3R)-3-cyclopropyl-3-[(2R)-2-(1-{(1S)-1-[5-fluoro-2-(trifluoromethoxy)phenyl]ethyl}piperidin-4-yl)-3,4-dihydro-2H-1-benzopyran-7-yl]-2-methylpropanoic acid, (5aR,6S,6aS)-3-({2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl}methoxy)-5,5a,6,6a-tetrahydrocyclopropa[4,5]cyclopenta[1,2-c]pyridine-6-carboxylic acid, ...
Authors:Lu, J, Byrne, N, Patel, S, Sharma, S, Soisson, S.M.
Deposit date:2016-11-22
Release date:2017-06-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.22 Å)
Cite:Structural basis for the cooperative allosteric activation of the free fatty acid receptor GPR40.
Nat. Struct. Mol. Biol., 24, 2017
5TUQ
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BU of 5tuq by Molmil
Crystal Structure of a 6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione Inhibitor in Complex with HIV Reverse Transcriptase
Descriptor: 1-[(benzyloxy)methyl]-6-(cyclohexylmethyl)-3-hydroxy-5-(propan-2-yl)pyrimidine-2,4(1H,3H)-dione, HIV-1 REVERSE TRANSCRIPTASE, MAGNESIUM ION
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2016-11-07
Release date:2017-06-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.705 Å)
Cite:6-Cyclohexylmethyl-3-hydroxypyrimidine-2,4-dione as an inhibitor scaffold of HIV reverase transcriptase: Impacts of the 3-OH on inhibiting RNase H and polymerase.
Eur J Med Chem, 128, 2017
5V0N
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BU of 5v0n by Molmil
BACE1 in complex with inhibitor 5g
Descriptor: Beta-secretase 1, GLYCEROL, N-{(1S,2S)-1-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-1-hydroxy-3-phenylpropan-2-yl}-7-ethyl-1,3,3-trimethyl-2,2-dioxo-1,2,3,4-tetrahydro-2lambda~6~-[1,2,5]thiadiazepino[3,4,5-hi]indole-9-carboxamide, ...
Authors:Mesecar, A, Ghosh, A, Yen, Y.-C.
Deposit date:2017-02-28
Release date:2017-05-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.155 Å)
Cite:Design, synthesis, and X-ray structural studies of BACE-1 inhibitors containing substituted 2-oxopiperazines as P1'-P2' ligands.
Bioorg. Med. Chem. Lett., 27, 2017
5UV5
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BU of 5uv5 by Molmil
Crystal Structure of a 2-Hydroxyisoquinoline-1,3-dione RNase H Active Site Inhibitor with Multiple Binding Modes to HIV Reverse Transcriptase
Descriptor: 7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione, MANGANESE (II) ION, Reverse transcriptase/ribonuclease H, ...
Authors:Kirby, K.A, Sarafianos, S.G.
Deposit date:2017-02-19
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase.
Antimicrob. Agents Chemother., 61, 2017
5VHB
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BU of 5vhb by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitor
Descriptor: N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-12
Release date:2018-01-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5VIB
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BU of 5vib by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Descriptor: 3-({[6-(pyridin-4-yl)-1,3-benzothiazol-2-yl][2-(pyrrolidin-1-yl)ethyl]amino}methyl)phenol, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-14
Release date:2018-01-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5VWV
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BU of 5vwv by Molmil
Bak core latch dimer in complex with Bim-BH3 - Cubic
Descriptor: 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 11, ...
Authors:Brouwer, J.M, Colman, P.M, Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.897 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017
5V1B
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BU of 5v1b by Molmil
Structure of PHD1 in complex with 1,2,4-Triazolo-[1,5-a]pyridine
Descriptor: 4-([1,2,4]triazolo[1,5-a]pyridin-5-yl)benzonitrile, Egl nine homolog 2, FE (III) ION, ...
Authors:Skene, R.J.
Deposit date:2017-03-01
Release date:2017-06-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:1,2,4-Triazolo-[1,5-a]pyridine HIF Prolylhydroxylase Domain-1 (PHD-1) Inhibitors With a Novel Monodentate Binding Interaction.
J. Med. Chem., 60, 2017
5VSU
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BU of 5vsu by Molmil
Structure of yeast U6 snRNP with 2'-phosphate terminated U6 RNA
Descriptor: Saccharomyces cerevisiae strain T8 chromosome XII sequence, U4/U6 snRNA-associated-splicing factor PRP24, U6 snRNA-associated Sm-like protein LSm2, ...
Authors:Montemayor, E.J.
Deposit date:2017-05-12
Release date:2018-05-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Architecture of the U6 snRNP reveals specific recognition of 3'-end processed U6 snRNA.
Nat Commun, 9, 2018
5VI9
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BU of 5vi9 by Molmil
Crystal structure of Protein Kinase A in complex with the PKI peptide and Aminobenzothiazole based inhibitors
Descriptor: N-[(3-fluorophenyl)methyl]-6-(pyridin-4-yl)-1,3-benzothiazol-2-amine, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Judge, R.A.
Deposit date:2017-04-14
Release date:2018-01-31
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Design of Aminobenzothiazole Inhibitors of Rho Kinases 1 and 2 by Using Protein Kinase A as a Structure Surrogate.
Chembiochem, 19, 2018
5VX1
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BU of 5vx1 by Molmil
Bak L100A
Descriptor: Bcl-2 homologous antagonist/killer
Authors:Brouwer, J.M, Colman, P.M, Czabotar, P.E.
Deposit date:2017-05-23
Release date:2017-11-15
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.224 Å)
Cite:Conversion of Bim-BH3 from Activator to Inhibitor of Bak through Structure-Based Design.
Mol. Cell, 68, 2017

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