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1GZK
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BU of 1gzk by Molmil
Molecular mechanism for the regulation of protein kinase B/Akt by hydrophobic motif phosphorylation
Descriptor: RAC-BETA SERINE/THREONINE PROTEIN KINASE
Authors:Barford, D, Yang, J, Hemmings, B.A.
Deposit date:2002-05-23
Release date:2003-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Mechanism for the Regulation of Protein Kinase B/Akt by Hydrophobic Motif Phosphorylation
Mol.Cell, 9, 2002
4ZCW
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BU of 4zcw by Molmil
Structure of Human Enolase 2 in complex with SF2312
Descriptor: Gamma-enolase, MAGNESIUM ION, [(3S,5S)-1,5-dihydroxy-2-oxopyrrolidin-3-yl]phosphonic acid
Authors:Leonard, P.G, Maxwell, D, Czako, B, Muller, F.L.
Deposit date:2015-04-16
Release date:2016-07-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.992 Å)
Cite:SF2312 is a natural phosphonate inhibitor of enolase.
Nat.Chem.Biol., 12, 2016
9FLN
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BU of 9fln by Molmil
Crystal structure of the C-terminal domain of VldE H373A from Streptococcus pneumoniae
Descriptor: LysM domain-containing protein, ZINC ION
Authors:Miguel-Ruano, V, Acebron, I, P.de Jose, U, Straume, D, Havarstein, L.S, Hermoso, J.A.
Deposit date:2024-06-05
Release date:2025-01-22
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Characterization of VldE (Spr1875), a Pneumococcal Two-State l,d-Endopeptidase with a Four-Zinc Cluster in the Active Site.
Acs Catalysis, 14, 2024
7U6R
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BU of 7u6r by Molmil
Cryo-EM structure of PDF-2180 Spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PDF-2180 Spike glycoprotein
Authors:Tortorici, M.A, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-03-05
Release date:2022-11-30
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Close relatives of MERS-CoV in bats use ACE2 as their functional receptors.
Nature, 612, 2022
3LPE
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BU of 3lpe by Molmil
Crystal structure of Spt4/5NGN heterodimer complex from Methanococcus jannaschii
Descriptor: DNA-directed RNA polymerase subunit E'', Putative transcription antitermination protein nusG, ZINC ION
Authors:Hirtreiter, A, Damsma, G.E, Cheung, A.C.M, Klose, D, Grohmann, D, Vojnic, E, Martin, A.C.R, Cramer, P, Werner, F.
Deposit date:2010-02-05
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Spt4/5 stimulates transcription elongation through the RNA polymerase clamp coiled-coil motif.
Nucleic Acids Res., 38, 2010
9FLH
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BU of 9flh by Molmil
Crystal structure of the C-terminal domain of VldE from Streptococcus pneumoniae containing four zinc atoms at the binding site
Descriptor: ACETATE ION, CADMIUM ION, LysM domain-containing protein, ...
Authors:Acebron, I, Miguel-Ruano, V, Straume, D, Havarstein, L.S, Hermoso, J.A.
Deposit date:2024-06-05
Release date:2025-01-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characterization of VldE (Spr1875), a Pneumococcal Two-State l,d-Endopeptidase with a Four-Zinc Cluster in the Active Site.
Acs Catalysis, 14, 2024
3LIP
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BU of 3lip by Molmil
OPEN CONFORMATION OF PSEUDOMONAS CEPACIA LIPASE
Descriptor: CALCIUM ION, TRIACYL-GLYCEROL-HYDROLASE
Authors:Lang, D.A, Schomburg, D.
Deposit date:1997-04-18
Release date:1997-06-16
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:The open conformation of a Pseudomonas lipase.
Structure, 5, 1997
9FLM
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BU of 9flm by Molmil
Crystal structure of the C-terminal domain of VldE from Streptococcus pneumoniae in a catalytically competent conformation
Descriptor: LysM domain-containing protein, ZINC ION
Authors:Miguel-Ruano, V, Acebron, I, P.de Jose, U, Straume, D, Havarstein, L.S, Hermoso, J.A.
Deposit date:2024-06-05
Release date:2025-01-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Characterization of VldE (Spr1875), a Pneumococcal Two-State l,d-Endopeptidase with a Four-Zinc Cluster in the Active Site.
Acs Catalysis, 14, 2024
4ZA7
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BU of 4za7 by Molmil
Structure of A. niger Fdc1 in complex with alpha-methyl cinnamic acid
Descriptor: (2E)-2-methyl-3-phenylprop-2-enoic acid, 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol, ...
Authors:Payne, K.A.P, Leys, D.
Deposit date:2015-04-13
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:New cofactor supports alpha , beta-unsaturated acid decarboxylation via 1,3-dipolar cycloaddition.
Nature, 522, 2015
4ZAN
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BU of 4zan by Molmil
Structure of UbiX Y169F in complex with oxidised FMN and dimethylallyl monophosphate
Descriptor: Dimethylallyl monophosphate, FLAVIN MONONUCLEOTIDE, POTASSIUM ION, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-13
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
4ZAX
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BU of 4zax by Molmil
Structure of UbiX in complex with oxidised prenylated FMN (radical)
Descriptor: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, PHOSPHATE ION, THIOCYANATE ION, ...
Authors:White, M.D, Leys, D.
Deposit date:2015-04-14
Release date:2015-06-17
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:UbiX is a flavin prenyltransferase required for bacterial ubiquinone biosynthesis.
Nature, 522, 2015
1HCQ
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BU of 1hcq by Molmil
THE CRYSTAL STRUCTURE OF THE ESTROGEN RECEPTOR DNA-BINDING DOMAIN BOUND TO DNA: HOW RECEPTORS DISCRIMINATE BETWEEN THEIR RESPONSE ELEMENTS
Descriptor: DNA (5'-D(*CP*CP*AP*GP*GP*TP*CP*AP*CP*AP*GP*TP*GP*AP*CP*CP*T P*G)-3'), DNA (5'-D(*CP*CP*AP*GP*GP*TP*CP*AP*CP*TP*GP*TP*GP*AP*CP*CP*T P*G)-3'), PROTEIN (ESTROGEN RECEPTOR), ...
Authors:Schwabe, J.W.R, Chapman, L, Finch, J.T, Rhodes, D.
Deposit date:1995-01-04
Release date:1995-11-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of the estrogen receptor DNA-binding domain bound to DNA: how receptors discriminate between their response elements.
Cell(Cambridge,Mass.), 75, 1993
6I6Z
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BU of 6i6z by Molmil
Crystal structure of the human CARBOXYPEPTIDASE A1 in complex with the PHOSPHINIC INHIBITOR Acetyl-Tyr-Ala-Y(PO2CH2)-homoPhe-OH
Descriptor: (2S)-2-{[(S)-{(1R)-1-[(N-acetyl-L-tyrosyl)amino]ethyl}(hydroxy)phosphoryl]methyl}-4-phenylbutanoic acid, Carboxypeptidase A1, ZINC ION
Authors:Gallego, P, Reverter, D.
Deposit date:2018-11-15
Release date:2018-12-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Synthesis and Structural/Functional Characterization of Selective M14 Metallocarboxypeptidase Inhibitors Based on Phosphinic Pseudopeptide Scaffold: Implications on the Design of Specific Optical Probes.
J. Med. Chem., 62, 2019
5L9T
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BU of 5l9t by Molmil
Model of human Anaphase-promoting complex/Cyclosome (APC/C-CDH1) with E2 UBE2S poised for polyubiquitination where UBE2S, APC2, and APC11 are modeled into low resolution density
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 10, Anaphase-promoting complex subunit 11, ...
Authors:Brown, N.G, VanderLinden, R, Dube, P, Haselbach, D, Peters, J.M, Stark, H, Schulman, B.A.
Deposit date:2016-06-11
Release date:2016-10-26
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (6.4 Å)
Cite:Dual RING E3 Architectures Regulate Multiubiquitination and Ubiquitin Chain Elongation by APC/C.
Cell, 165, 2016
4ZOT
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BU of 4zot by Molmil
Crystal structure of BbKI, a disulfide-free plasma kallikrein inhibitor at 1.4 A resolution
Descriptor: Kunitz-type serine protease inhibitor BbKI
Authors:Shabalin, I.G, Zhou, D, Wlodawer, A, Oliva, M.L.V.
Deposit date:2015-05-06
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure of BbKI, a disulfide-free plasma kallikrein inhibitor.
Acta Crystallogr.,Sect.F, 71, 2015
1A27
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BU of 1a27 by Molmil
HUMAN 17-BETA-HYDROXYSTEROID-DEHYDROGENASE TYPE 1 C-TERMINAL DELETION MUTANT COMPLEXED WITH ESTRADIOL AND NADP+
Descriptor: 17-BETA-HYDROXYSTEROID-DEHYDROGENASE, ESTRADIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Mazza, C, Breton, R, Housset, D, Fontecilla-Camps, J.-C.
Deposit date:1998-01-16
Release date:1998-05-27
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Human Type I 17Beta-Hydroxysteroid Dehydrogenase: Site Directed Mutagenesis and X-Ray Crystallography Structure-Function Analysis
Thesis, Universite Joseph Fourier, 1997
1A3E
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BU of 1a3e by Molmil
COMPLEX OF HUMAN ALPHA-THROMBIN WITH THE BIFUNCTIONAL BORONATE INHIBITOR BOROLOG2
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), BOROLOG2, ...
Authors:Skordalakes, E, Elgendy, S, Goodwin, C.A, Green, D, Scullly, M.F, Kakkar, V.V, Freyssinet, J.M, Dodson, G, Deadman, J.
Deposit date:1998-01-21
Release date:1998-06-03
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Bifunctional peptide boronate inhibitors of thrombin: crystallographic analysis of inhibition enhanced by linkage to an exosite 1 binding peptide.
Biochemistry, 37, 1998
3LQS
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BU of 3lqs by Molmil
Complex Structure of D-Amino Acid Aminotransferase and 4-amino-4,5-dihydro-thiophenecarboxylic acid (ADTA)
Descriptor: 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, ACETIC ACID, D-alanine aminotransferase
Authors:Lepore, B.W, Liu, D, Peng, Y, Fu, M, Yasuda, C, Manning, J.M, Silverman, R.B, Ringe, D.
Deposit date:2010-02-10
Release date:2010-03-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Chiral discrimination among aminotransferases: inactivation by 4-amino-4,5-dihydrothiophenecarboxylic acid.
Biochemistry, 49, 2010
4R8I
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BU of 4r8i by Molmil
High Resolution Structure of a Mirror-Image RNA Oligonucleotide Aptamer in Complex with the Chemokine CCL2
Descriptor: C-C motif chemokine 2, Mirror-Image RNA Oligonucleotide Aptamer NOXE36, POTASSIUM ION, ...
Authors:Oberthuer, D, Achenbach, J, Gabdulkhakov, A, Falke, S, Buchner, K, Maasch, C, Rehders, D, Klussmann, S, Betzel, C.
Deposit date:2014-09-02
Release date:2015-04-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structure of a mirror-image L-RNA aptamer (Spiegelmer) in complex with the natural L-protein target CCL2.
Nat Commun, 6, 2015
3GIG
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BU of 3gig by Molmil
Crystal structure of phosphorylated DesKC in complex with AMP-PCP
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Sensor histidine kinase desK
Authors:Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D.
Deposit date:2009-03-05
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.502 Å)
Cite:Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
9HBO
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BU of 9hbo by Molmil
Highly optimized CNS penetrant inhibitors of EGFR Exon20 Insertion Mutations. Compound 51 bound to EGFRinsNPG [V948R]
Descriptor: 1-[2-[5-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one, Epidermal growth factor receptor
Authors:Felisberto-Rodrigues, C, Hargreaves, D.
Deposit date:2024-11-07
Release date:2025-02-05
Last modified:2025-02-26
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Highly Optimized CNS Penetrant Inhibitors of EGFR Exon20 Insertion Mutations.
J.Med.Chem., 68, 2025
5LJM
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BU of 5ljm by Molmil
Structure of SPATA2 PUB domain
Descriptor: GLYCEROL, Spermatogenesis-associated protein 2
Authors:Elliott, P.R, Komander, D.
Deposit date:2016-07-18
Release date:2016-08-24
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:SPATA2 Links CYLD to LUBAC, Activates CYLD, and Controls LUBAC Signaling.
Mol.Cell, 63, 2016
5LPJ
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BU of 5lpj by Molmil
Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM1
Descriptor: CREB-binding protein, ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide
Authors:Huegle, M, Wohlwend, D.
Deposit date:2016-08-13
Release date:2017-08-16
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles.
Angew. Chem. Int. Ed. Engl., 56, 2017
3GIF
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BU of 3gif by Molmil
Crystal structure of DesKC_H188E in complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Sensor histidine kinase desK
Authors:Trajtenberg, F, Albanesi, D, Alzari, P.M, Buschiazzo, A, de Mendoza, D.
Deposit date:2009-03-05
Release date:2009-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural plasticity and catalysis regulation of a thermosensor histidine kinase
Proc.Natl.Acad.Sci.USA, 106, 2009
5LTL
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BU of 5ltl by Molmil
Structure of human chemokine CCL16
Descriptor: C-C motif chemokine 16, GLYCEROL, SODIUM ION
Authors:Weiergraeber, O.H, Batra-Safferling, R, Haenel, K, Willbold, D.
Deposit date:2016-09-07
Release date:2018-05-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure and dynamics of human chemokine CCL16
To Be Published

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