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6UAU
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BU of 6uau by Molmil
Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E102A mutant) from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaritriose and laminaribiose
Descriptor: DI(HYDROXYETHYL)ETHER, Glyco_hydro_cc domain-containing protein, ZINC ION, ...
Authors:Vieira, P.S, Cabral, L, Costa, P.A.C.R, Santos, C.R, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UB0
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BU of 6ub0 by Molmil
Crystal structure of a GH128 (subgroup III) curdlan-specific exo-beta-1,3-glucanase from Blastomyces gilchristii (BgGH128_III) in complex with laminaribiose at -2 and -1 subsites
Descriptor: Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose
Authors:Costa, P.A.C.R, Santos, C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6DUM
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BU of 6dum by Molmil
ALDH1A1 N121S in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g)
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, CHLORIDE ION, ...
Authors:Buchman, C.D, Hurley, T.D.
Deposit date:2018-06-21
Release date:2019-05-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Optimization of a Novel Class of Aldehyde Dehydrogenase 1A (ALDH1A) Subfamily-Selective Inhibitors as Potential Adjuncts to Ovarian Cancer Chemotherapy.
J.Med.Chem., 61, 2018
6UBB
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BU of 6ubb by Molmil
Crystal structure of a GH128 (subgroup VI) exo-beta-1,3-glucanase from Aureobasidium namibiae (AnGH128_VI) with laminaribiose at the surface-binding site
Descriptor: Glyco_hydro_cc domain-containing protein, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Santos, C.R, Vieira, P.S, Domingues, M.N, Cordeiro, R.L, Tomazini, A, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
5YP7
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BU of 5yp7 by Molmil
p62/SQSTM1 ZZ domain
Descriptor: Sequestosome-1, ZINC ION
Authors:Kwon, D.H, Kim, L, Song, H.K.
Deposit date:2017-11-01
Release date:2018-08-29
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.424 Å)
Cite:Insights into degradation mechanism of N-end rule substrates by p62/SQSTM1 autophagy adapter.
Nat Commun, 9, 2018
6UB7
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BU of 6ub7 by Molmil
Crystal structure of a GH128 (subgroup V) exo-beta-1,3-glucanase from Cryptococcus neoformans (CnGH128_V)
Descriptor: Glyco_hydro_cc domain-containing protein, POTASSIUM ION
Authors:Santos, C.R, Costa, P.A.C.R, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
1ATV
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BU of 1atv by Molmil
HAIRPIN WITH AGAA TETRALOOP, NMR, 4 STRUCTURES
Descriptor: RNA (5'-R(*GP*GP*GP*AP*CP*CP*AP*GP*AP*AP*GP*GP*UP*CP*CP*CP*G)-3')
Authors:Kang, H.
Deposit date:1997-08-14
Release date:1998-02-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Primary Sequence at the Junction of Stem and Loop in RNA Hairpins Affects the Three-Dimensional Conformation in Solution
To be Published
6TY5
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BU of 6ty5 by Molmil
Crystal structure of human TLR8 in complex with Compound 11
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-methyl-7-(7-methyl-2-piperidin-4-yl-indazol-5-yl)furo[3,2-c]pyridin-4-one, Toll-like receptor 8, ...
Authors:Faller, M, Zink, F.
Deposit date:2020-01-15
Release date:2020-08-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.793 Å)
Cite:Target-Based Identification and Optimization of 5-Indazol-5-yl Pyridones as Toll-like Receptor 7 and 8 Antagonists Using a Biochemical TLR8 Antagonist Competition Assay.
J.Med.Chem., 63, 2020
6UAT
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BU of 6uat by Molmil
Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase (E102A mutant) from Amycolatopsis mediterranei (AmGH128_I) in complex with laminaripentaose
Descriptor: Glyco_hydro_cc domain-containing protein, ZINC ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Vieira, P.S, Cabral, L, Costa, P.A.C.R, Santos, C.R, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UAY
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BU of 6uay by Molmil
Crystal structure of a GH128 (subgroup III) curdlan-specific exo-beta-1,3-glucanase from Blastomyces gilchristii (BgGH128_III)
Descriptor: GLYCOSIDE HYDROLASE
Authors:Costa, P.A.C.R, Santos, C.R, Domingues, M.N, Lima, E.A, Mandelli, F, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UB8
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BU of 6ub8 by Molmil
Crystal structure of a GH128 (subgroup VI) exo-beta-1,3-glucanase from Aureobasidium namibiae (AnGH128_VI)
Descriptor: GLYCEROL, Glyco_hydro_cc domain-containing protein
Authors:Santos, C.R, Vieira, P.S, Domingues, M.N, Cordeiro, R.L, Tomazini, A, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UEN
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BU of 6uen by Molmil
Cryo-EM structure of the respiratory syncytial virus RNA polymerase
Descriptor: RNA-directed RNA polymerase L, the phosphoprotein (P) of human respiratory syncytial virus
Authors:Cao, D, Gao, Y, Liang, B.
Deposit date:2019-09-22
Release date:2020-01-22
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (3.67 Å)
Cite:Cryo-EM structure of the respiratory syncytial virus RNA polymerase.
Nat Commun, 11, 2020
6UAQ
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BU of 6uaq by Molmil
Crystal structure of a GH128 (subgroup I) endo-beta-1,3-glucanase from Amycolatopsis mediterranei (AmGH128_I)
Descriptor: GLYCEROL, Glyco_hydro_cc domain-containing protein, SODIUM ION
Authors:Costa, P.A.C.R, Santos, C.R, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UAW
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BU of 6uaw by Molmil
Crystal structure of a GH128 (subgroup II) endo-beta-1,3-glucanase from Pseudomonas viridiflava (PvGH128_II) in complex with laminaritriose
Descriptor: Glyco_hydro_cc domain-containing protein, SULFATE ION, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Santos, C.R, Costa, P.A.C.R, Lima, E.A, Mandelli, F, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
6UB2
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BU of 6ub2 by Molmil
Crystal structure of a GH128 (subgroup IV) endo-beta-1,3-glucanase from Lentinula edodes (LeGH128_IV)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Endo-beta-1,3-glucanase, ...
Authors:Santos, C.R, Lima, E.A, Mandelli, F, Vieira, P.S, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
5KSJ
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BU of 5ksj by Molmil
Crystal structure of deoxygenated hemoglobin in complex with Sphingosine phosphate
Descriptor: (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Ahmed, M.H, Safo, M.K, Xia, Y.
Deposit date:2016-07-08
Release date:2017-07-26
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Functional Insight of Sphingosine 1-Phosphate-Mediated Pathogenic Metabolic Reprogramming in Sickle Cell Disease.
Sci Rep, 7, 2017
7OXF
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BU of 7oxf by Molmil
Solution structure of bee apamin
Descriptor: Apamin
Authors:Mineev, K, Kuzmenkov, A, Vassilevski, A.
Deposit date:2021-06-22
Release date:2022-07-13
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Apamin structure and pharmacology revisited.
Front Pharmacol, 13, 2022
5L3W
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BU of 5l3w by Molmil
Structure of the crenarchaeal FtsY GTPase bound to GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, Signal recognition particle receptor FtsY
Authors:Bange, G, Wild, K, Sinning, I.
Deposit date:2016-05-24
Release date:2016-06-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for Conserved Regulation and Adaptation of the Signal Recognition Particle Targeting Complex.
J.Mol.Biol., 428, 2016
6UBC
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BU of 6ubc by Molmil
Crystal structure of a GH128 (subgroup VII) oligosaccharide-binding protein from Cryptococcus neoformans (CnGH128_VII)
Descriptor: Glyco_hydro_cc domain-containing protein
Authors:Santos, C.R, Costa, P.A.C.R, Souza, B.P, Vieira, P.S, Murakami, M.T.
Deposit date:2019-09-11
Release date:2020-05-20
Last modified:2020-08-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into beta-1,3-glucan cleavage by a glycoside hydrolase family.
Nat.Chem.Biol., 16, 2020
1AI2
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BU of 1ai2 by Molmil
ISOCITRATE DEHYDROGENASE COMPLEXED WITH ISOCITRATE, NADP+, AND CALCIUM (FLASH-COOLED)
Descriptor: ISOCITRATE CALCIUM COMPLEX, ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Stoddard, B.L, Mesecar, A, Koshland Junior, D.E.
Deposit date:1997-04-30
Release date:1997-10-15
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences.
Science, 277, 1997
1A74
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BU of 1a74 by Molmil
I-PPOL HOMING ENDONUCLEASE/DNA COMPLEX
Descriptor: DNA (5'-D(*TP*TP*GP*AP*CP*TP*CP*TP*CP*TP*TP*AP*AP*GP*AP*GP*A P*GP*TP*CP*A)-3'), INTRON-ENCODED ENDONUCLEASE I-PPOI, ZINC ION
Authors:Jurica, B.L, Flick, K.E, Monnat Junior, R.J, Stoddard, M.S.
Deposit date:1998-03-19
Release date:1998-06-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:DNA binding and cleavage by the nuclear intron-encoded homing endonuclease I-PpoI.
Nature, 394, 1998
8DY2
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BU of 8dy2 by Molmil
Crystal Structure of spFv GLK1
Descriptor: SULFATE ION, spFv GLK1 LH
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY4
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BU of 8dy4 by Molmil
Crystal Structure of spFv CAT2200 HL
Descriptor: spFv CAT2200 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY3
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BU of 8dy3 by Molmil
Crystal Structure of spFv GLK2 HL
Descriptor: SULFATE ION, spFv GLK2 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.509 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023
8DY0
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BU of 8dy0 by Molmil
Crystal Structure of spFv GLK1 HL
Descriptor: spFv GLK1 HL
Authors:Luo, J, Boucher, L.E.
Deposit date:2022-08-03
Release date:2023-05-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:"Stapling" scFv for multispecific biotherapeutics of superior properties.
Mabs, 15, 2023

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