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5A9V
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BU of 5a9v by Molmil
Structure of apo BipA
Descriptor: GTP-BINDING PROTEIN
Authors:Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y.
Deposit date:2015-07-23
Release date:2015-09-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.31 Å)
Cite:Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
8JUE
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BU of 8jue by Molmil
Crystal structure of glutaminase C in complex with compound 11
Descriptor: 2-(3-phenoxyphenyl)-N-[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide, Glutaminase kidney isoform, mitochondrial
Authors:Wang, X, Hanyu, S, Tingting, D.
Deposit date:2023-06-26
Release date:2023-10-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors.
Acs Med.Chem.Lett., 14, 2023
8JUB
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BU of 8jub by Molmil
Crystal structure of glutaminase C in complex with compound 27
Descriptor: 3-[2-oxidanylidene-2-[[5-[[(3R)-1-pyridazin-3-ylpyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]amino]ethyl]benzoic acid, Glutaminase kidney isoform, mitochondrial
Authors:Wang, X, Hanyu, S, Tingting, D.
Deposit date:2023-06-26
Release date:2023-10-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Targeting the Subpocket Enables the Discovery of Thiadiazole-Pyridazine Derivatives as Glutaminase C Inhibitors.
Acs Med.Chem.Lett., 14, 2023
4KMS
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BU of 4kms by Molmil
Crystal structure of Acetoacetyl-CoA reductase from Rickettsia felis
Descriptor: Acetoacetyl-CoA reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID), Abendroth, J, Lukacs, C, Edwards, T.E, Lorimer, D.
Deposit date:2013-05-08
Release date:2013-05-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of acetoacetyl-CoA reductase from Rickettsia felis.
Acta Crystallogr.,Sect.F, 77, 2021
4YG4
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BU of 4yg4 by Molmil
HipB-O1-O1* complex
Descriptor: Antitoxin HipB, DNA (28-MER), DNA (5'-D(*AP*TP*AP*TP*CP*CP*CP*CP*TP*TP*AP*AP*GP*GP*GP*GP*AP*TP*AP*A)-3')
Authors:Schumacher, M.A.
Deposit date:2015-02-25
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
4YG7
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BU of 4yg7 by Molmil
Structure of FL autorepression promoter complex
Descriptor: Antitoxin HipB, DNA (50-MER), Serine/threonine-protein kinase HipA
Authors:Schumacher, M.A.
Deposit date:2015-02-25
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.77 Å)
Cite:HipBA-promoter structures reveal the basis of heritable multidrug tolerance.
Nature, 524, 2015
4FPD
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BU of 4fpd by Molmil
Deprotonation of D96 in bacteriorhodopsin opens the proton uptake pathway
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, CHLORIDE ION, ...
Authors:Wang, T, Sessions, A.O, Lunde, C.S, Rouani, S, Glaeser, R.M, Facciotti, M.T, Duan, Y.
Deposit date:2012-06-22
Release date:2013-02-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Deprotonation of d96 in bacteriorhodopsin opens the proton uptake pathway.
Structure, 21, 2013
5A9W
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BU of 5a9w by Molmil
Structure of GDPCP BipA
Descriptor: GTP-BINDING PROTEIN, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Kumar, V, Chen, Y, Ero, R, Li, Z, Gao, Y.
Deposit date:2015-07-23
Release date:2015-08-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structure of Bipa in GTP Form Bound to the Ratcheted Ribosome.
Proc.Natl.Acad.Sci.USA, 112, 2015
5B1W
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BU of 5b1w by Molmil
Crystal structure of human dendritic cell inhibitory receptor (DCIR) C-type lectin domain in ligand-free form
Descriptor: C-type lectin domain family 4 member A, CALCIUM ION
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2015-12-21
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Crystal structure of human dendritic cell inhibitory receptor C-type lectin domain reveals the binding mode with N-glycan
Febs Lett., 590, 2016
6L1Q
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BU of 6l1q by Molmil
Crystal structure of AfCbbQ2, a MoxR AAA+-ATPase and CbbQO-type Rubisco activase from Acidithiobacillus ferrooxidans
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CbbQ protein, PHOSPHATE ION
Authors:Ye, F.Z, Tsai, Y.C.C, Mueller-Cajar, O, Gao, Y.G.
Deposit date:2019-09-30
Release date:2019-12-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Insights into the mechanism and regulation of the CbbQO-type Rubisco activase, a MoxR AAA+ ATPase.
Proc.Natl.Acad.Sci.USA, 117, 2020
5AV7
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BU of 5av7 by Molmil
Crystal structure of Calsepa lectin in complex with bisected glycan
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)][2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]methyl alpha-D-mannopyranoside, Lectin
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2015-06-12
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Atomic visualization of a flipped-back conformation of bisected glycans bound to specific lectins
Sci Rep, 6, 2016
8OV5
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BU of 8ov5 by Molmil
PERIDININ-CHLOROPHYLL-PROTEIN OF AMPHIDINIUM CARTERAE, 100K
Descriptor: CHLOROPHYLL A, PERIDININ, Peridinin-chlorophyll a-binding protein 1, ...
Authors:Hofmann, E, Johanning, S.
Deposit date:2023-04-25
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural and Spectroscopic Characterization of the Peridinin-Chlorophyll a-Protein (PCP) Complex from Heterocapsa pygmaea (HPPCP)
To Be Published
3QTL
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BU of 3qtl by Molmil
Structural Basis for Dual-inhibition Mechanism of a Non-classical Kazal-type Serine Protease Inhibitor from Horseshoe Crab in Complex with Subtilisin
Descriptor: Kazal-type serine protease inhibitor SPI-1, Subtilisin-like serin protease
Authors:Shenoy, R.T, Sivaraman, J.
Deposit date:2011-02-23
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for dual-inhibition mechanism of a non-classical kazal-type serine protease inhibitor from horseshoe crab in complex with subtilisin.
Plos One, 6, 2011
7DXJ
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BU of 7dxj by Molmil
Human 46QHuntingtin-HAP40 complex structure
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Guo, Q, Fernandez-Busnadiego, R.
Deposit date:2021-01-19
Release date:2021-03-24
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Pathological polyQ expansion does not alter the conformation of the Huntingtin-HAP40 complex.
Structure, 29, 2021
7DXK
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BU of 7dxk by Molmil
Human 128QHuntingtin-HAP40 complex structure
Descriptor: 40-kDa huntingtin-associated protein, Huntingtin
Authors:Guo, Q, Fernandez-Busnadiego, R.
Deposit date:2021-01-19
Release date:2021-03-24
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Pathological polyQ expansion does not alter the conformation of the Huntingtin-HAP40 complex.
Structure, 29, 2021
5ZIC
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BU of 5zic by Molmil
Crystal structure of human GnT-V luminal domain in complex with acceptor sugar
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-6-thio-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2018-03-14
Release date:2018-08-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and mechanism of cancer-associated N-acetylglucosaminyltransferase-V.
Nat Commun, 9, 2018
5ZIB
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BU of 5zib by Molmil
Crystal structure of human GnT-V luminal domain in apo form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A
Authors:Nagae, M, Yamaguchi, Y.
Deposit date:2018-03-14
Release date:2018-08-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure and mechanism of cancer-associated N-acetylglucosaminyltransferase-V.
Nat Commun, 9, 2018
3Q16
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BU of 3q16 by Molmil
Linkage between the Bacterial Acid Stress and Stringent Responses: The Structure of the Inducible Lysine Decarboxylase
Descriptor: Lysine decarboxylase, inducible
Authors:El Bakkouri, M, Pai, E.F, Houry, W.A.
Deposit date:2010-12-16
Release date:2011-02-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Linkage between the bacterial acid stress and stringent responses: the structure of the inducible lysine decarboxylase.
Embo J., 30, 2011
5C8D
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BU of 5c8d by Molmil
Crystal structure of full-length Thermus thermophilus CarH bound to adenosylcobalamin (dark state)
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Light-dependent transcriptional regulator CarH
Authors:Jost, M, Drennan, C.L.
Deposit date:2015-06-25
Release date:2015-09-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for gene regulation by a B12-dependent photoreceptor.
Nature, 526, 2015
1FIA
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BU of 1fia by Molmil
CRYSTAL STRUCTURE OF THE FACTOR FOR INVERSION STIMULATION FIS AT 2.0 ANGSTROMS RESOLUTION
Descriptor: FACTOR FOR INVERSION STIMULATION (FIS)
Authors:Kostrewa, D, Granzin, J, Choe, H.-W, Labahn, J, Saenger, W.
Deposit date:1991-12-18
Release date:1993-10-31
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the factor for inversion stimulation FIS at 2.0 A resolution.
J.Mol.Biol., 226, 1992
3NKE
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BU of 3nke by Molmil
High resolution structure of the C-terminal domain CRISP-associated protein Cas1 from Escherichia coli str. K-12
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, SULFITE ION, ...
Authors:Nocek, B, Skarina, T, Beloglazova, N, Savchenko, A, Joachimiak, A, Yakunin, A.
Deposit date:2010-06-18
Release date:2010-08-25
Last modified:2014-12-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A dual function of the CRISPR-Cas system in bacterial antivirus immunity and DNA repair.
Mol.Microbiol., 79, 2011
1OZ1
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BU of 1oz1 by Molmil
P38 MITOGEN-ACTIVATED KINASE IN COMPLEX WITH 4-AZAINDOLE INHIBITOR
Descriptor: 3-(4-FLUOROPHENYL)-2-PYRIDIN-4-YL-1H-PYRROLO[3,2-B]PYRIDIN-1-OL, Mitogen-activated protein kinase 14
Authors:Lovejoy, B, Villasenor, A, Browner, M, Dunten, P.
Deposit date:2003-04-07
Release date:2003-09-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design and synthesis of 4-azaindoles as inhibitors of p38 MAP kinase.
J.Med.Chem., 46, 2003
7KFV
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BU of 7kfv by Molmil
Structural basis for a germline-biased antibody response to SARS-CoV-2 (RBD:C1A-B12 Fab)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of antibody C1A-B12 Fab, Spike glycoprotein, ...
Authors:Pan, J, Abraham, J, Clark, L, Clark, S.
Deposit date:2020-10-15
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Molecular basis for a germline-biased neutralizing antibody response to SARS-CoV-2.
Biorxiv, 2020
3NS7
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BU of 3ns7 by Molmil
Succinic Acid Amides as P2-P3 Replacements for Inhibitors of Interleukin-1beta Converting Enzyme (ICE or Caspase 1)
Descriptor: (3S)-4-hydroxy-3-{[(2S)-4-{[2-(2-methyl-1H-benzimidazol-1-yl)ethyl]amino}-2-(1-methylethyl)-4-oxobutanoyl]amino}butanoic acid, Caspase-1
Authors:Galatsis, P.
Deposit date:2010-07-01
Release date:2011-08-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Succinic acid amides as P2-P3 replacements for inhibitors of interleukin-1beta converting enzyme (ICE or caspase 1).
Bioorg.Med.Chem.Lett., 20, 2010
6B09
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BU of 6b09 by Molmil
Crystal structure of HsNUDT16 in complex with diADPR (soaked)
Descriptor: CHLORIDE ION, MAGNESIUM ION, SODIUM ION, ...
Authors:Thirawatananond, P, Gabelli, S.B.
Deposit date:2017-09-14
Release date:2019-01-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural analyses of NudT16-ADP-ribose complexes direct rational design of mutants with improved processing of poly(ADP-ribosyl)ated proteins.
Sci Rep, 9, 2019

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