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4L0L
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BU of 4l0l by Molmil
Crystal structure of P.aeruginosa PBP3 in complex with compound 4
Descriptor: (6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid, Penicillin-binding protein 3
Authors:Han, S, Marr, E.S.
Deposit date:2013-05-31
Release date:2013-08-21
Last modified:2014-01-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Pyridone-conjugated monobactam antibiotics with gram-negative activity.
J.Med.Chem., 56, 2013
4NWM
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BU of 4nwm by Molmil
Crystal structure of Bruton agammaglobulinemia tyrosine kinase complexed with BMS-809959 aka 4-tert-butyl-n-[2-me thyl-3-(6-{[4-(morpholine-4-carbonyl)phenyl]amino}-9h- purin-2-yl)phenyl]benzamide
Descriptor: 4-tert-butyl-N-[2-methyl-3-(6-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}-7H-purin-2-yl)phenyl]benzamide, Tyrosine-protein kinase BTK
Authors:Muckelbauer, J.K.
Deposit date:2013-12-06
Release date:2014-04-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Purine derivatives as potent Bruton's tyrosine kinase (BTK) inhibitors for autoimmune diseases.
Bioorg.Med.Chem.Lett., 24, 2014
8EZR
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BU of 8ezr by Molmil
Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, native protein
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, HipS(Lp), ...
Authors:Stogios, P.J, Skarina, T, Michalska, K, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-11-01
Release date:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, native protein
To Be Published
8EZT
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BU of 8ezt by Molmil
Crystal structure of HipB(Lp) from Legionella pneumophila
Descriptor: CHLORIDE ION, HipB(Lp)
Authors:Stogios, P.J, Skarina, T, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-11-01
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crystal structure of HipB(Lp) from Legionella pneumophila
To Be Published
8EZS
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BU of 8ezs by Molmil
Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, Sel-met protein
Descriptor: CHLORIDE ION, HipS(Lp), HipT(Lp)
Authors:Stogios, P.J, Skarina, T, Michalska, K, Di Leo, R, Lin, J, Ensminger, A, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-11-01
Release date:2023-09-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal structure of the HipS(Lp)-HipT(Lp) complex from Legionella pneumophila, Sel-met protein
To Be Published
4EKK
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BU of 4ekk by Molmil
Akt1 with AMP-PNP
Descriptor: Glycogen synthase kinase-3 beta, MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Wu, W.-I, Vigers, G.P.A, Morales, T.H, Brandhuber, B.J.
Deposit date:2012-04-09
Release date:2012-05-23
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:An ATP-Site On-Off Switch That Restricts Phosphatase Accessibility of Akt.
Sci.Signal., 5, 2012
8IZL
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BU of 8izl by Molmil
Structure of the Mumps Virus L Protein Bound by Phosphoprotein Tetramer
Descriptor: Phosphoprotein, RNA-directed RNA polymerase L, ZINC ION
Authors:Li, T.H, Shen, Q.T.
Deposit date:2023-04-07
Release date:2024-04-17
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structures of the mumps virus polymerase complex via cryo-electron microscopy.
Nat Commun, 15, 2024
3AWD
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BU of 3awd by Molmil
Crystal structure of gox2181
Descriptor: CADMIUM ION, MAGNESIUM ION, Putative polyol dehydrogenase
Authors:Adam Yuan, Y, Yuan, Z.
Deposit date:2011-03-18
Release date:2012-02-01
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and structural analysis of Gox2181, a new member of the SDR superfamily from Gluconobacter oxydans.
Biochem.Biophys.Res.Commun., 415, 2011
5E04
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BU of 5e04 by Molmil
Crystal structure of Andes virus nucleoprotein
Descriptor: Nucleoprotein
Authors:Guo, Y, Wang, W.M, Lou, Z.Y.
Deposit date:2015-09-28
Release date:2015-12-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal Structure of the Core Region of Hantavirus Nucleocapsid Protein Reveals the Mechanism for Ribonucleoprotein Complex Formation
J.Virol., 90, 2015
8CPH
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BU of 8cph by Molmil
Crystal structure of PPAR gamma (PPARG) in complex with WY-14643 (inactive form)
Descriptor: 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-03-02
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
8CPI
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BU of 8cpi by Molmil
Crystal structure of PPAR gamma (PPARG) in complex with WY-14643
Descriptor: 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-03-02
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
8CPJ
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BU of 8cpj by Molmil
Crystal structure of PPAR gamma (PPARG) in an inactive form
Descriptor: 1,2-ETHANEDIOL, Peroxisome proliferator-activated receptor gamma
Authors:Chaikuad, A, Merk, D, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2023-03-02
Release date:2023-07-12
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Targeting the Alternative Vitamin E Metabolite Binding Site Enables Noncanonical PPAR gamma Modulation.
J.Am.Chem.Soc., 145, 2023
6CF8
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BU of 6cf8 by Molmil
Crystal structure of Cj0843 lytic transglycosylase of Campylobacter jejuni at 1.87A resolution
Descriptor: Lytic transglycosylase, SULFATE ION
Authors:van den Akker, F, Kumar, V, Vijayaraghavan, J.
Deposit date:2018-02-13
Release date:2018-05-30
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural studies and molecular dynamics simulations suggest a processive mechanism of exolytic lytic transglycosylase from Campylobacter jejuni.
PLoS ONE, 13, 2018
6HAQ
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BU of 6haq by Molmil
AFGH61B WILD-TYPE COPPER LOADED
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, COPPER (II) ION, ...
Authors:Lo Leggio, L, Poulsen, J.C.N, Weihe, C.D.
Deposit date:2018-08-08
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant.
Carbohydr. Res., 469, 2018
4NSQ
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BU of 4nsq by Molmil
Crystal structure of PCAF
Descriptor: COENZYME A, Histone acetyltransferase KAT2B
Authors:Lin, J.Y, Cai, Y.F.
Deposit date:2013-11-28
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3108 Å)
Cite:Dimeric structure of p300/CBP associated factor.
Bmc Struct.Biol., 14, 2014
7WPH
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BU of 7wph by Molmil
SARS-CoV2 RBD bound to Fab06
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ...
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2022-01-23
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7WPV
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BU of 7wpv by Molmil
Fab14 - a SARS-CoV2 RBD neutralising antibody
Descriptor: Fab14 heavy chain, Fab14 light chain
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2022-01-24
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
6HA5
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BU of 6ha5 by Molmil
AFGH61B L90V/D131S/M134L/A141W VARIANT
Descriptor: ACETATE ION, COPPER (II) ION, Endoglucanase, ...
Authors:Lo Leggio, L, Poulsen, J.C.N.
Deposit date:2018-08-07
Release date:2018-08-22
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure of a lytic polysaccharide monooxygenase from Aspergillus fumigatus and an engineered thermostable variant.
Carbohydr. Res., 469, 2018
5HKE
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BU of 5hke by Molmil
bile salt hydrolase from Lactobacillus salivarius
Descriptor: Bile salt hydrolase, PHOSPHATE ION
Authors:Hu, X.-J.
Deposit date:2016-01-14
Release date:2016-05-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of bile salt hydrolase from Lactobacillus salivarius.
Acta Crystallogr F Struct Biol Commun, 72, 2016
6UQE
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BU of 6uqe by Molmil
ClpA/ClpP Disengaged State bound to RepA-GFP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ATP-dependent Clp protease proteolytic subunit, ...
Authors:Lopez, K.L, Rizo, A.R, Southworth, D.R.
Deposit date:2019-10-18
Release date:2020-04-22
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis.
Nat.Struct.Mol.Biol., 27, 2020
6UQO
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BU of 6uqo by Molmil
ClpA/ClpP Engaged State bound to RepA-GFP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent Clp endopeptidase proteolytic subunit ClpP, ATP-dependent Clp protease ATP-binding subunit ClpA, ...
Authors:Lopez, K.L, Rizo, A.N, Southworth, D.R.
Deposit date:2019-10-21
Release date:2020-04-22
Last modified:2022-03-16
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis.
Nat.Struct.Mol.Biol., 27, 2020
6CFC
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BU of 6cfc by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni in complex with Bulgecin A
Descriptor: 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE, Lytic transglycosylase, SULFATE ION
Authors:van den Akker, F, Kumar, V.
Deposit date:2018-02-14
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural studies and molecular dynamics simulations suggest a processive mechanism of exolytic lytic transglycosylase from Campylobacter jejuni.
PLoS ONE, 13, 2018
7XXL
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BU of 7xxl by Molmil
RBD in complex with Fab14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab14 heavy chain, Fab14 light chain, ...
Authors:Lin, J.Q, Tan, Y.J.E, Wu, B, Lescar, J.
Deposit date:2022-05-30
Release date:2022-09-14
Last modified:2022-10-05
Method:ELECTRON MICROSCOPY (7.3 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
6CF9
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BU of 6cf9 by Molmil
Crystal structure of soluble lytic transglycosylase Cj0843 of Campylobacter jejuni at 2.3A resolution in I23 space group
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, ACETATE ION, Lytic transglycosylase
Authors:van den Akker, F, Kumar, V.
Deposit date:2018-02-13
Release date:2018-05-30
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural studies and molecular dynamics simulations suggest a processive mechanism of exolytic lytic transglycosylase from Campylobacter jejuni.
PLoS ONE, 13, 2018
7VYX
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BU of 7vyx by Molmil
Crystal structure of the selenomethionine(SeMet)-derived Cas12c1 (D969A) ternary complex
Descriptor: Non-target DNA strand, Selenomethionine (SeMet)-labeled Cas12c1 D969A mutant, Target DNA strand, ...
Authors:Zhang, B, Lin, J.Y, Perculija, V, OuYang, S.Y.
Deposit date:2021-11-15
Release date:2022-11-02
Last modified:2023-06-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural insights into target DNA recognition and cleavage by the CRISPR-Cas12c1 system
Nucleic Acids Res., 50, 2022

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