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7AT3
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BU of 7at3 by Molmil
Structure of EstD11 in complex with Naproxen and methanol
Descriptor: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, EstD11, FORMIC ACID, ...
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-28
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7AT2
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BU of 7at2 by Molmil
Crystal structure of inactive EstD11 S144A
Descriptor: EstD11 S144A
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-28
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
7ATD
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BU of 7atd by Molmil
Structure of inactive EstD11 S144A in complex with methyl-naproxen
Descriptor: ACETATE ION, EstD11 S144A, FORMIC ACID, ...
Authors:Miguel-Ruano, V, Rivera, I, Hermoso, J.A.
Deposit date:2020-10-29
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Biochemical and Structural Characterization of a novel thermophilic esterase EstD11 provide catalytic insights for the HSL family.
Comput Struct Biotechnol J, 19, 2021
5D7V
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BU of 5d7v by Molmil
Crystal structure of PTK6 kinase domain
Descriptor: GLYCEROL, PHOSPHATE ION, Protein-tyrosine kinase 6
Authors:Thakur, M.K, Birudukota, S, Swaminathan, S, Tyagi, R, Gosu, R.
Deposit date:2015-08-14
Release date:2016-08-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Crystal structure of the kinase domain of human protein tyrosine kinase 6 (PTK6) at 2.33 angstrom resolution
Biochem.Biophys.Res.Commun., 478, 2016
1GZX
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BU of 1gzx by Molmil
Oxy T State Haemoglobin - Oxygen bound at all four haems
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ...
Authors:Paoli, M, Liddington, R, Tame, J, Wilkinson, A, Dodson, G.
Deposit date:2002-06-07
Release date:2002-07-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of T State Haemoglobin with Oxygen Bound at All Four Haems.
J.Mol.Biol., 256, 1996
3CMT
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BU of 3cmt by Molmil
Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*DTP*DTP*DTP*DTP*DTP*DCP*DCP*DCP*DAP*DCP*DCP*DTP*DTP*DTP*DT)-3'), DNA (5'-D(P*DGP*DGP*DTP*DGP*DGP*DG)-3'), ...
Authors:Chen, Z, Yang, H, Pavletich, N.P.
Deposit date:2008-03-24
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures.
Nature, 453, 2008
2XE6
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BU of 2xe6 by Molmil
The complete reaction cycle of human phosphoglycerate kinase: The open binary complex with 3PG
Descriptor: 3-PHOSPHOGLYCERIC ACID, PHOSPHOGLYCERATE KINASE 1
Authors:Cliff, M.J, Baxter, N.J, Blackburn, G.M, Merli, A, Vas, M, Waltho, J.P, Bowler, M.W.
Deposit date:2010-05-11
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A Spring Loaded Release Mechanism Regulates Domain Movement and Catalysis in Phosphoglycerate Kinase.
J.Biol.Chem., 286, 2011
5DA3
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BU of 5da3 by Molmil
Crystal structure of PTK6 Kinase domain with inhibitor
Descriptor: (2-chloro-4-{[6-cyclopropyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}phenyl)(morpholin-4-yl)methanone, GLYCEROL, Protein-tyrosine kinase 6
Authors:Thakur, M.K, Birudukota, S, Swaminathan, S, Battula, S.K, Vadivelu, S, Tyagi, R, Gosu, R.
Deposit date:2015-08-19
Release date:2016-08-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Co-crystal structures of PTK6: With Dasatinib at 2.24 angstrom , with novel imidazo[1,2-a]pyrazin-8-amine derivative inhibitor at 1.70 angstrom resolution
Biochem. Biophys. Res. Commun., 482, 2017
7PZB
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BU of 7pzb by Molmil
Structure of the Clr-cAMP-DNA complex
Descriptor: CYCLIC GUANOSINE MONOPHOSPHATE, DNA (5'-D(*CP*TP*AP*GP*GP*TP*AP*AP*CP*AP*TP*TP*AP*CP*TP*CP*GP*CP*G)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*TP*AP*AP*TP*GP*TP*TP*AP*C)-3'), ...
Authors:Werel, L, Essen, L.-O.
Deposit date:2021-10-11
Release date:2022-11-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structural Basis of Dual Specificity of Sinorhizobium meliloti Clr, a cAMP and cGMP Receptor Protein.
Mbio, 14, 2023
7PZA
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BU of 7pza by Molmil
Structure of the Clr-cAMP-DNA complex
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA (5'-D(*CP*TP*AP*GP*GP*TP*AP*AP*CP*AP*TP*TP*AP*CP*TP*CP*GP)-3'), DNA (5'-D(*GP*CP*GP*AP*GP*TP*AP*AP*TP*GP*TP*TP*AP*C)-3'), ...
Authors:Werel, L, Essen, L.-O.
Deposit date:2021-10-11
Release date:2022-11-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Structural Basis of Dual Specificity of Sinorhizobium meliloti Clr, a cAMP and cGMP Receptor Protein.
Mbio, 14, 2023
8B9L
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BU of 8b9l by Molmil
Cryo-EM structure of MLE
Descriptor: Dosage compensation regulator
Authors:Jagtap, P.K.A, Hennig, J.
Deposit date:2022-10-06
Release date:2023-10-18
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Structural basis of RNA-induced autoregulation of the DExH-type RNA helicase maleless.
Mol.Cell, 83, 2023
7DBP
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BU of 7dbp by Molmil
Linker histone defines structure and self-association behaviour of the 177 bp human chromosome
Descriptor: DNA (175-MER), Histone H1.0, Histone H2A type 1-B/E, ...
Authors:Wang, S, Vogirala, K.V, Soman, A, Liu, Z.B.
Deposit date:2020-10-21
Release date:2020-12-23
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Linker histone defines structure and self-association behaviour of the 177 bp human chromatosome.
Sci Rep, 11, 2021
3KK6
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BU of 3kk6 by Molmil
Crystal Structure of Cyclooxygenase-1 in complex with celecoxib
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, CITRATE ANION, ...
Authors:Sidhu, R.S.
Deposit date:2009-11-04
Release date:2009-12-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Coxibs interfere with the action of aspirin by binding tightly to one monomer of cyclooxygenase-1.
Proc.Natl.Acad.Sci.USA, 107, 2010
8BS0
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BU of 8bs0 by Molmil
Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at 80 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION
Authors:Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A.
Deposit date:2022-11-24
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
8BRZ
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BU of 8brz by Molmil
Room-temperature structure of Pedobacter heparinus N-acetylglucosamine 2-epimerase at 52 MPa helium gas pressure in a sapphire capillary
Descriptor: CHLORIDE ION, N-acylglucosamine 2-epimerase, PHOSPHATE ION
Authors:Lieske, J, Saouane, S, Assmann, M, Zaun, H, Kuballa, J, Meents, A.
Deposit date:2022-11-24
Release date:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
8BS2
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BU of 8bs2 by Molmil
Room-temperature structure of SARS-CoV-2 Main protease at 104 MPa helium gas pressure in a sapphire capillary
Descriptor: 3C-like proteinase, DIMETHYL SULFOXIDE
Authors:Lieske, J, Saouane, S, Guenther, S, Reinke, P.Y.A, Rahmani Mashhour, A, Meents, A.
Deposit date:2022-11-24
Release date:2023-12-13
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:High-pressure macromolecular crystallography to explore the conformational space of proteins
To Be Published
5Z26
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BU of 5z26 by Molmil
solution structure of SMAP-18
Descriptor: SMAP-18
Authors:Jung, B, Lee, C.W.
Deposit date:2017-12-29
Release date:2019-01-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:solution structure of SMAP-18
To Be Published
5Z2O
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BU of 5z2o by Molmil
solution structure of G2,7,13A SMAP-18 analogue
Descriptor: G2,7,13A SMAP-18 analogue
Authors:Jung, B, Lee, C.W.
Deposit date:2018-01-03
Release date:2019-01-02
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:solution structure of G2,7,13A SMAP-18 analogue
To Be Published
1HSA
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BU of 1hsa by Molmil
THE THREE-DIMENSIONAL STRUCTURE OF HLA-B27 AT 2.1 ANGSTROMS RESOLUTION SUGGESTS A GENERAL MECHANISM FOR TIGHT PEPTIDE BINDING TO MHC
Descriptor: BETA 2-MICROGLOBULIN, CLASS I HISTOCOMPATIBILITY ANTIGEN (HLA-B*2705), MODEL PEPTIDE SEQUENCE - ARAAAAAAA
Authors:Madden, D.R, Gorga, J.C, Strominger, J.L, Wiley, D.C.
Deposit date:1992-08-11
Release date:1992-10-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The three-dimensional structure of HLA-B27 at 2.1 A resolution suggests a general mechanism for tight peptide binding to MHC.
Cell(Cambridge,Mass.), 70, 1992
8C01
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BU of 8c01 by Molmil
Enp1TAP_A population of yeast small ribosomal subunit precursors
Descriptor: 18S rRNA precursor, 20S-pre-rRNA D-site endonuclease NOB1, 40S ribosomal protein S0-A, ...
Authors:Milkereit, P, Poell, G.
Deposit date:2022-12-15
Release date:2022-12-28
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Impact of the yeast S0/uS2-cluster ribosomal protein rpS21/eS21 on rRNA folding and the architecture of small ribosomal subunit precursors.
Plos One, 18, 2023
8C00
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BU of 8c00 by Molmil
Enp1TAP-S21_A population of yeast small ribosomal subunit precursors depleted of rpS21/eS21
Descriptor: 18S rRNA precursor, 40S ribosomal protein S1-A, 40S ribosomal protein S11-A, ...
Authors:Milkereit, P, Poell, G.
Deposit date:2022-12-15
Release date:2022-12-28
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Impact of the yeast S0/uS2-cluster ribosomal protein rpS21/eS21 on rRNA folding and the architecture of small ribosomal subunit precursors.
Plos One, 18, 2023
4L1W
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BU of 4l1w by Molmil
Crystal Structuer of Human 3-alpha Hydroxysteroid Dehydrogenase Type 3 in Complex with NADP+ and Progesterone
Descriptor: Aldo-keto reductase family 1 member C2, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE, ...
Authors:Zhang, B, Hu, X.-J, Lin, S.-X.
Deposit date:2013-06-03
Release date:2014-04-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human 3-alpha hydroxysteroid dehydrogenase type 3 (3 alpha-HSD3): The V54L mutation restricting the steroid alternative binding and enhancing the 20 alpha-HSD activity
J.Steroid Biochem.Mol.Biol., 141, 2014
3IFK
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BU of 3ifk by Molmil
Crystal Structure Of Calcium-Saturated Calmodulin N-terminal Domain Fragment, Residues 1-90
Descriptor: CALCIUM ION, CALMODULIN
Authors:Witt, T.J, Newman, R.A, Shea, M.A.
Deposit date:2009-07-24
Release date:2009-12-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Thermodynamics and conformational change governing domain-domain interactions of calmodulin.
Methods Enzymol., 466, 2009
1A4U
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BU of 1a4u by Molmil
ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS
Descriptor: ALCOHOL DEHYDROGENASE
Authors:Benach, J, Atrian, S, Gonzalez-Duarte, R, Ladenstein, R.
Deposit date:1998-02-05
Release date:1999-02-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:The refined crystal structure of Drosophila lebanonensis alcohol dehydrogenase at 1.9 A resolution.
J.Mol.Biol., 282, 1998
1AHT
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BU of 1aht by Molmil
CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN COMPLEXED WITH HIRUGEN AND P-AMIDINOPHENYLPYRUVATE AT 1.6 ANGSTROMS RESOLUTION
Descriptor: (2S)-3-(4-carbamimidoylphenyl)-2-hydroxypropanoic acid, ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), ...
Authors:Chen, Z.
Deposit date:1995-03-17
Release date:1996-03-17
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of human alpha-thrombin complexed with hirugen and p-amidinophenylpyruvate at 1.6 A resolution.
Arch.Biochem.Biophys., 322, 1995

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