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5QD4
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BU of 5qd4 by Molmil
Crystal structure of BACE complex with BMC023
Descriptor: Beta-secretase 1, {(E)-(3R,6S,9R)-3-[(1S,3R)-3-((S)-1 -BUTYLCARBAMOYL-2-METHYL-PROPYLCARB AMOYL)-1-HYDROXY-BUTYL]-6-METHYL-5, 8-DIOXO-1,11-DITHIA-4,7-DIAZA-CYCLO PENTADEC-13-EN-9-YL}-CARBAMIC ACID TERT-BUTYL ESTER
Authors:Rondeau, J.M, Shao, C, Yang, H, Burley, S.K.
Deposit date:2017-12-01
Release date:2020-06-03
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.112 Å)
Cite:D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies.
J.Comput.Aided Mol.Des., 34, 2020
4DC0
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BU of 4dc0 by Molmil
Crystal Structure of F189W Actinorhodin Polyketide Ketoreductase with NADPH
Descriptor: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Javidpour, P, Tsai, S.-C.
Deposit date:2012-01-16
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.813 Å)
Cite:The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase.
Chem.Biol., 20, 2013
4DBZ
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BU of 4dbz by Molmil
Crystal Structure of V151L Actinorhodin Polyketide Ketoreductase with NADPH
Descriptor: Ketoacyl reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Javidpour, P, Tsai, S.-C.
Deposit date:2012-01-16
Release date:2013-01-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.643 Å)
Cite:The Determinants of Activity and Specificity in Actinorhodin Type II Polyketide Ketoreductase.
Chem.Biol., 20, 2013
2I4X
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BU of 2i4x by Molmil
HIV-1 Protease I84V, L90M with GS-8374
Descriptor: DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease
Authors:Hatada, M.
Deposit date:2006-08-22
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
J.Mol.Biol., 363, 2006
3U31
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BU of 3u31 by Molmil
Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine
Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Transcriptional regulatory protein sir2 homologue, ...
Authors:Zhou, Y, Hao, Q.
Deposit date:2011-10-04
Release date:2011-11-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine
Acs Chem.Biol., 2011
2ABK
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BU of 2abk by Molmil
REFINEMENT OF THE NATIVE STRUCTURE OF ENDONUCLEASE III TO A RESOLUTION OF 1.85 ANGSTROM
Descriptor: ENDONUCLEASE III, IRON/SULFUR CLUSTER
Authors:Thayer, M.M, Tainer, J.A.
Deposit date:1995-05-11
Release date:1995-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Novel DNA binding motifs in the DNA repair enzyme endonuclease III crystal structure.
EMBO J., 14, 1995
1OKK
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BU of 1okk by Molmil
HOMO-HETERODIMERIC COMPLEX OF THE SRP GTPASES
Descriptor: 1,2-ETHANEDIOL, CELL DIVISION PROTEIN FTSY, MAGNESIUM ION, ...
Authors:Focia, P.J, Freymann, D.M.
Deposit date:2003-07-26
Release date:2004-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Heterodimeric Gtpase Core of the Srp Targeting Complex
Science, 303, 2004
3V00
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BU of 3v00 by Molmil
Studies of a constitutively active G-alpha subunit provide insights into the mechanism of G protein activation.
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(t) subunit alpha-1/ Guanine nucleotide-binding protein G(i) subunit alpha-1 chimeric protein
Authors:Singh, G, Cerione, R.A.
Deposit date:2011-12-07
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A constitutively active G-alpha subunit provide insights into the mechanism of G protein activation
Biochemistry, 51, 2012
3VZE
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BU of 3vze by Molmil
Crystal structure of human pancreatic secretory protein ZG16p with alpha1,3-mannobiose
Descriptor: CHLORIDE ION, Zymogen granule membrane protein 16, alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose
Authors:Kanagawa, M, Yamaguchi, Y.
Deposit date:2012-10-11
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Multiple Sugar Recognition of Jacalin-related Human ZG16p Lectin
J.Biol.Chem., 289, 2014
3U3D
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BU of 3u3d by Molmil
Plasmodium falciparum Sir2A preferentially hydrolyzes medium and long chain fatty acyl lysine
Descriptor: GLYCEROL, Transcriptional regulatory protein sir2 homologue, ZINC ION, ...
Authors:Zhou, Y, Hao, Q.
Deposit date:2011-10-05
Release date:2011-11-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Plasmodium falciparum Sir2A Preferentially Hydrolyzes Medium and Long Chain Fatty Acyl Lysine
Acs Chem.Biol., 2011
3TIX
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BU of 3tix by Molmil
Crystal structure of the Chp1-Tas3 complex core
Descriptor: CHLORIDE ION, Chromo domain-containing protein 1, POTASSIUM ION, ...
Authors:Schalch, T, Joshua-Tor, L.
Deposit date:2011-08-22
Release date:2011-11-16
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9001 Å)
Cite:The Chp1-Tas3 core is a multifunctional platform critical for gene silencing by RITS.
Nat.Struct.Mol.Biol., 18, 2011
3VY6
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BU of 3vy6 by Molmil
Crystal structure of human pancreatic secretory protein ZG16p with laminaribiose
Descriptor: CHLORIDE ION, Zymogen granule membrane protein 16, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Kanagawa, M, Yamaguchi, Y.
Deposit date:2012-09-21
Release date:2013-09-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Multiple Sugar Recognition of Jacalin-related Human ZG16p Lectin
J.Biol.Chem., 289, 2014
3VZF
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BU of 3vzf by Molmil
Crystal structure of human pancreatic secretory protein ZG16p with methyl alpha-D-mannopyranoside
Descriptor: CHLORIDE ION, Zymogen granule membrane protein 16, methyl alpha-D-mannopyranoside
Authors:Kanagawa, M, Yamaguchi, Y.
Deposit date:2012-10-11
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Basis for Multiple Sugar Recognition of Jacalin-related Human ZG16p Lectin
J.Biol.Chem., 289, 2014
3VZG
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BU of 3vzg by Molmil
Crystal structure of human pancreatic secretory protein ZG16p with O-(alpha-D-mannosyl)-L-threonine
Descriptor: CHLORIDE ION, THREONINE, Zymogen granule membrane protein 16, ...
Authors:Kanagawa, M, Yamaguchi, Y.
Deposit date:2012-10-11
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for Multiple Sugar Recognition of Jacalin-related Human ZG16p Lectin
J.Biol.Chem., 289, 2014
3WOG
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BU of 3wog by Molmil
Crystal structure plant lectin in complex with ligand
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, CALCIUM ION, ...
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2013-12-26
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold
Glycobiology, 24, 2014
3VY7
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BU of 3vy7 by Molmil
Crystal structure of human pancreatic secretory protein ZG16p with O-(alpha-D-mannosyl)-L-serine
Descriptor: CHLORIDE ION, SERINE, Zymogen granule membrane protein 16, ...
Authors:Kanagawa, M, Yamaguchi, Y.
Deposit date:2012-09-21
Release date:2013-09-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structural Basis for Multiple Sugar Recognition of Jacalin-related Human ZG16p Lectin
J.Biol.Chem., 289, 2014
3WCR
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BU of 3wcr by Molmil
Crystal structure of plant lectin (ligand-free form)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BROMIDE ION, Erythroagglutinin
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2013-05-31
Release date:2014-04-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold
Glycobiology, 24, 2014
3WCS
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BU of 3wcs by Molmil
Crystal structure of plant lectin (ligand-bound form)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, ...
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2013-05-31
Release date:2014-04-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Phytohemagglutinin from Phaseolus vulgaris (PHA-E) displays a novel glycan recognition mode using a common legume lectin fold
Glycobiology, 24, 2014
2HZC
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BU of 2hzc by Molmil
Crystal structure of the N-terminal RRM of the U2AF large subunit
Descriptor: HEXAETHYLENE GLYCOL, Splicing factor U2AF 65 kDa subunit, ZINC ION
Authors:Thickman, K.R, Sickmier, E.A, Kielkopf, C.L.
Deposit date:2006-08-08
Release date:2006-08-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Alternative Conformations at the RNA-binding Surface of the N-terminal U2AF(65) RNA Recognition Motif.
J.Mol.Biol., 366, 2007

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數據於2024-07-24公開中

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