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3KFS
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BU of 3kfs by Molmil
HIV Protease (PR) dimer with inhibitor TL-3 bound and fragment 2F4 in the outside/top of flap
Descriptor: 1-benzothiophen-2-ylacetic acid, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D.
Deposit date:2009-10-28
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
3KLF
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BU of 3klf by Molmil
Crystal structure of wild-type HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA
Descriptor: DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(2DA))-3'), DNA (5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), GLYCEROL, ...
Authors:Tu, X, Das, K, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-07
Release date:2010-09-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010
3KCG
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BU of 3kcg by Molmil
Crystal structure of the antithrombin-factor IXa-pentasaccharide complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside, Antithrombin-III, ...
Authors:Huntington, J.A, Johnson, D.J.D.
Deposit date:2009-10-21
Release date:2010-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular basis of factor IXa recognition by heparin-activated antithrombin revealed by a 1.7-A structure of the ternary complex.
Proc.Natl.Acad.Sci.USA, 107, 2010
3KMN
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BU of 3kmn by Molmil
Crystal Structure of the Human Apo GST Pi C47S/Y108V Double Mutant
Descriptor: CALCIUM ION, CARBONATE ION, Glutathione S-transferase P, ...
Authors:Parker, L.J.
Deposit date:2009-11-11
Release date:2010-03-23
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Diuretic drug binding to human glutathione transferase P1-1: potential role of CYS101 revealed in the double mutant C47S/Y108V
to be published
3KNP
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BU of 3knp by Molmil
Crystal structure of DTD from Plasmodium falciparum
Descriptor: D-tyrosyl-tRNA(Tyr) deacylase
Authors:Manickam, Y, Bhatt, T.K, Sharma, A.
Deposit date:2009-11-12
Release date:2009-12-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Ligand-bound Structures Provide Atomic Snapshots for the Catalytic Mechanism of D-Amino Acid Deacylase
J.Biol.Chem., 285, 2010
3KDJ
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BU of 3kdj by Molmil
Complex structure of (+)-ABA-bound PYL1 and ABI1
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, MANGANESE (II) ION, Protein phosphatase 2C 56, ...
Authors:Yin, P, Fan, H, Hao, Q, Yuan, X, Yan, N.
Deposit date:2009-10-23
Release date:2009-11-10
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.878 Å)
Cite:Structural insights into the mechanism of abscisic acid signaling by PYL proteins
Nat.Struct.Mol.Biol., 16, 2009
3KF5
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BU of 3kf5 by Molmil
Structure of invertase from Schwanniomyces occidentalis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Invertase
Authors:Sanz-Aparicio, J, Polo, A.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and kinetic analysis of Schwanniomyces occidentalis invertase reveals a new oligomerization pattern and the role of its supplementary domain in substrate binding
J.Biol.Chem., 285, 2010
6KLN
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BU of 6kln by Molmil
F-actin of cardiac thin filament in high-calcium state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Oda, T, Yanagisawa, H, Wakabayashi, T.
Deposit date:2019-07-30
Release date:2020-01-15
Last modified:2020-03-11
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structures of cardiac thin filaments reveal the 3D architecture of troponin.
J.Struct.Biol., 209, 2020
6KKA
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BU of 6kka by Molmil
Xylanase J mutant from Bacillus sp. 41M-1
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Suzuki, M, Takita, T, Nakatani, K.
Deposit date:2019-07-24
Release date:2019-09-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Increase in the thermostability of GH11 xylanase XynJ from Bacillus sp. strain 41M-1 using site saturation mutagenesis.
Enzyme.Microb.Technol., 130, 2019
6KKR
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BU of 6kkr by Molmil
human KCC1 structure determined in KCl and detergent GDN
Descriptor: 2-[2-[(1~{S},2~{S},4~{S},5'~{R},6~{R},7~{S},8~{R},9~{S},12~{S},13~{R},16~{S})-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-18-ene-6,2'-oxane]-16-yl]oxyethyl]propane-1,3-diol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Liu, S, Chang, S, Ye, S, Bai, X, Guo, J.
Deposit date:2019-07-27
Release date:2019-10-23
Last modified:2020-08-12
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures of the human cation-chloride cotransporter KCC1.
Science, 366, 2019
3KFN
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BU of 3kfn by Molmil
HIV Protease (PR) with inhibitor TL-3 and fragment hit 4D9 by soaking
Descriptor: (1S,2S)-2-methylcyclohexanol, BETA-MERCAPTOETHANOL, DIMETHYL SULFOXIDE, ...
Authors:Stout, C.D.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Fragment-based screen against HIV protease.
Chem.Biol.Drug Des., 75, 2010
6KN7
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BU of 6kn7 by Molmil
Structure of human cardiac thin filament in the calcium free state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Fujii, T, Yamada, Y, Namba, K.
Deposit date:2019-08-03
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (6.6 Å)
Cite:Cardiac muscle thin filament structures reveal calcium regulatory mechanism.
Nat Commun, 11, 2020
6KLL
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BU of 6kll by Molmil
F-actin of cardiac thin filament in low-calcium state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
Authors:Oda, T, Yanagisawa, H, Wakabayashi, T.
Deposit date:2019-07-30
Release date:2020-01-15
Last modified:2020-03-11
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Cryo-EM structures of cardiac thin filaments reveal the 3D architecture of troponin.
J.Struct.Biol., 209, 2020
6K7M
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BU of 6k7m by Molmil
Cryo-EM structure of the human P4-type flippase ATP8A1-CDC50 (E2Pi-PL state)
Descriptor: (2~{S})-2-azanyl-3-[[(2~{R})-3-hexadecanoyloxy-2-[(~{Z})-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ...
Authors:Hiraizumi, M, Yamashita, K, Nishizawa, T, Nureki, O.
Deposit date:2019-06-07
Release date:2019-08-28
Last modified:2021-02-10
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:Cryo-EM structures capture the transport cycle of the P4-ATPase flippase.
Science, 365, 2019
3KE3
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BU of 3ke3 by Molmil
Crystal structure of Putative serine-pyruvate aminotransferase (YP_263484.1) from PSYCHROBACTER ARCTICUM 273-4 at 2.20 A resolution
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Putative serine-pyruvate aminotransferase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-10-23
Release date:2009-11-03
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Putative serine-pyruvate aminotransferase (YP_263484.1) from PSYCHROBACTER ARCTICUM 273-4 at 2.20 A resolution
To be published
6KAN
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BU of 6kan by Molmil
Crystal structure of FKRP in complex with Ba ion
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BARIUM ION, Fukutin-related protein, ...
Authors:Kuwabara, N.
Deposit date:2019-06-23
Release date:2020-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.251 Å)
Cite:Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy.
Nat Commun, 11, 2020
3KJ2
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BU of 3kj2 by Molmil
Mcl-1 in complex with Bim BH3 mutant F4aE
Descriptor: ACETATE ION, Bcl-2-like protein 11, Induced myeloid leukemia cell differentiation protein Mcl-1, ...
Authors:Fire, E, Grant, R.A, Keating, A.E.
Deposit date:2009-11-02
Release date:2010-02-16
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (2.351 Å)
Cite:Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
6KAL
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BU of 6kal by Molmil
Crystal structure of FKRP in complex with Mg ion and CMP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYTIDINE-5'-MONOPHOSPHATE, Fukutin-related protein, ...
Authors:Kuwabara, N.
Deposit date:2019-06-23
Release date:2020-01-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy.
Nat Commun, 11, 2020
3KGA
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BU of 3kga by Molmil
Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor
Descriptor: 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one, MAGNESIUM ION, MAP kinase-activated protein kinase 2
Authors:Kroemer, M, Velcicky, J, Izaac, A, Be, C, Huppertz, C, Pflieger, D, Schlapbach, A, Scheufler, C.
Deposit date:2009-10-28
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Novel 3-aminopyrazole inhibitors of MK-2 discovered by scaffold hopping strategy.
Bioorg.Med.Chem.Lett., 20, 2010
3KGW
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BU of 3kgw by Molmil
Crystal structure of Putative aminotransferase (AAH25799.1) from MUS MUSCULUS at 1.65 A resolution
Descriptor: 1,2-ETHANEDIOL, Alanine-glyoxylate aminotransferase, CHLORIDE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-10-29
Release date:2009-12-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of Putative aminotransferase (AAH25799.1) from MUS MUSCULUS at 1.65 A resolution
To be published
3KHB
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BU of 3khb by Molmil
Crystal structure of Escherichia coli AlkB with Co(II) and 2-OG
Descriptor: 2-OXOGLUTARIC ACID, Alpha-ketoglutarate-dependent dioxygenase alkB, COBALT (II) ION
Authors:Hollis, T, Holland, P.J.
Deposit date:2009-10-30
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and mutational analysis of Escherichia coli AlkB provides insight into substrate specificity and DNA damage searching.
Plos One, 5, 2010
3KB3
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BU of 3kb3 by Molmil
Crystal structure of abscisic acid-bound PYL2 in complex with HAB1
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, MAGNESIUM ION, Protein phosphatase 2C 16, ...
Authors:Zhou, X.E, Melcher, K, Soon, F.-F, Ng, L.-M, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E.
Deposit date:2009-10-20
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors
Nature, 462, 2009
3KF3
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BU of 3kf3 by Molmil
Structure of fructofuranosidase from Schwanniomyces occidentalis complexed with fructose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Invertase, beta-D-fructofuranose
Authors:Sanz-Aparicio, J, Polo, A.
Deposit date:2009-10-27
Release date:2010-02-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and kinetic analysis of Schwanniomyces occidentalis invertase reveals a new oligomerization pattern and the role of its supplementary domain in substrate binding
J.Biol.Chem., 285, 2010
3KJV
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BU of 3kjv by Molmil
HIV-1 reverse transcriptase in complex with DNA
Descriptor: 5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DOC))-3', 5'-D(*AP*TP*GP*GP*TP*GP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3', MAGNESIUM ION, ...
Authors:Lansdon, E.B.
Deposit date:2009-11-03
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Visualizing the molecular interactions of a nucleotide analog, GS-9148, with HIV-1 reverse transcriptase-DNA complex.
J.Mol.Biol., 397, 2010
3KLE
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BU of 3kle by Molmil
Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to a DSDNA with a bound excision product, AZTPPPPA
Descriptor: DNA (25-MER), DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(2DA))-3'), GLYCEROL, ...
Authors:Tu, X, Das, K, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-07
Release date:2010-09-22
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010

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