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2YXJ
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BU of 2yxj by Molmil
Crystal structure of Bcl-xL in complex with ABT-737
Descriptor: 4-{4-[(4'-CHLOROBIPHENYL-2-YL)METHYL]PIPERAZIN-1-YL}-N-{[4-({(1R)-3-(DIMETHYLAMINO)-1-[(PHENYLTHIO)METHYL]PROPYL}AMINO)-3-NITROPHENYL]SULFONYL}BENZAMIDE, Apoptosis regulator Bcl-X, CHLORIDE ION, ...
Authors:Czabotar, P.E, Lee, E.F, Smith, B.J, Deshayes, K, Zobel, K, Fairlie, W.D, Colman, P.M.
Deposit date:2007-04-26
Release date:2007-05-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of ABT-737 complexed with Bcl-xL: implications for selectivity of antagonists of the Bcl-2 family
Cell Death Differ., 14, 2007
4G8E
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BU of 4g8e by Molmil
Crystal Structure of clone18 TCR
Descriptor: alpha chain clone 18 TCR, beta chain clone 18 TCR
Authors:Gras, S, Bhati, M, Rossjohn, J.
Deposit date:2012-07-23
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A conserved human T cell population targets mycobacterial antigens presented by CD1b.
Nat.Immunol., 14, 2013
4G8F
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BU of 4g8f by Molmil
Crystal Structure of clone42 TCR
Descriptor: alpha chain clone 42 TCR, beta chain clone 42 TCR
Authors:Gras, S, Bhati, M, Rossjohn, J.
Deposit date:2012-07-23
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A conserved human T cell population targets mycobacterial antigens presented by CD1b.
Nat.Immunol., 14, 2013
4JK5
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BU of 4jk5 by Molmil
Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Ser)
Descriptor: 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ...
Authors:Buth, S.A, Leiman, P.G, Chen, S, Heinis, C.
Deposit date:2013-03-09
Release date:2013-07-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids.
Chembiochem, 14, 2013
3CFX
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BU of 3cfx by Molmil
Crystal structure of M. acetivorans periplasmic binding protein ModA/WtpA with bound tungstate
Descriptor: GLYCEROL, MAGNESIUM ION, TUNGSTATE(VI)ION, ...
Authors:Comellas-Bigler, M, Hollenstein, K, Locher, K.P.
Deposit date:2008-03-04
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Distorted octahedral coordination of tungstate in a subfamily of specific binding proteins.
J.Biol.Inorg.Chem., 14, 2009
5CHH
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BU of 5chh by Molmil
Crystal structure of transcriptional regulator CdpR from Pseudomonas aeruginosa
Descriptor: AraC family transcriptional regulator
Authors:Zhao, J.R, Yu, X, Zhu, M, Kang, H.P, Kong, W.N, Ma, J.B, Deng, X, Gan, J.H, Liang, H.H.
Deposit date:2015-07-10
Release date:2016-05-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Molecular Mechanism of CdpR Involved in Quorum-Sensing and Bacterial Virulence in Pseudomonas aeruginosa
Plos Biol., 14, 2016
3CG3
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BU of 3cg3 by Molmil
Crystal structure of P. horikoshii periplasmic binding protein ModA/WtpA with bound tungstate
Descriptor: TUNGSTATE(VI)ION, UPF0100 protein PH0151
Authors:Comellas-Bigler, M, Hollenstein, K, Locher, K.P.
Deposit date:2008-03-04
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Distorted octahedral coordination of tungstate in a subfamily of specific binding proteins.
J.Biol.Inorg.Chem., 14, 2009
5TY4
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BU of 5ty4 by Molmil
MicroED structure of a complex between monomeric TGF-b and its receptor, TbRII, at 2.9 A resolution
Descriptor: TGF-beta receptor type-2, mmTGF-b2-7m
Authors:Weiss, S.C, de la Cruz, M.J, Hattne, J, Shi, D, Reyes, F.E, Callero, G, Gonen, T.
Deposit date:2016-11-18
Release date:2017-04-26
Last modified:2023-10-04
Method:ELECTRON CRYSTALLOGRAPHY (2.9 Å)
Cite:Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
4JK6
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BU of 4jk6 by Molmil
Human urokinase-type Plasminogen Activator (uPA) in complex with a bicyclic peptide inhibitor (UK18-D-Aba)
Descriptor: 1,3,5-tris(bromomethyl)benzene, CHLORIDE ION, HEXAETHYLENE GLYCOL, ...
Authors:Buth, S.A, Leiman, P.G, Chen, S, Heinis, C.
Deposit date:2013-03-09
Release date:2013-07-17
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Improving binding affinity and stability of Peptide ligands by substituting glycines with d-amino acids.
Chembiochem, 14, 2013
5U8K
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BU of 5u8k by Molmil
RitR mutant - C128S
Descriptor: Response regulator
Authors:Silvaggi, N.R, Han, L.
Deposit date:2016-12-14
Release date:2017-12-20
Last modified:2018-11-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:RitR is an archetype for a novel family of redox sensors in the streptococci that has evolved from two-component response regulators and is required for pneumococcal colonization.
PLoS Pathog., 14, 2018
3C52
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BU of 3c52 by Molmil
Class II fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with phosphoglycolohydroxamic acid, a competitive inhibitor
Descriptor: CALCIUM ION, Fructose-bisphosphate aldolase, PHOSPHOGLYCOLOHYDROXAMIC ACID, ...
Authors:Coincon, M, Sygusch, J.
Deposit date:2008-01-30
Release date:2008-08-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Synthesis and Biochemical Evaluation of Selective Inhibitors of Class II Fructose Bisphosphate Aldolases: Towards New Synthetic Antibiotics.
Chemistry, 14, 2008
4K8X
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BU of 4k8x by Molmil
Binary complex of 9N DNA polymerase in the replicative state
Descriptor: 1,2-ETHANEDIOL, 1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-y l}-3,3-dimethyl-3H-indolium, CHLORIDE ION, ...
Authors:Betz, K, Diederichs, K, Marx, A.
Deposit date:2013-04-19
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structures of KOD and 9N DNA Polymerases Complexed with Primer Template Duplex
Chembiochem, 14, 2013
5CUO
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BU of 5cuo by Molmil
Structure of Rhodopseudomonas palustris PduL - CoA bound form
Descriptor: COENZYME A, Phosphate propanoyltransferase, ZINC ION
Authors:Sutter, M, Erbilgin, O, Kerfeld, C.A.
Deposit date:2015-07-24
Release date:2016-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.544 Å)
Cite:The Structural Basis of Coenzyme A Recycling in a Bacterial Organelle.
Plos Biol., 14, 2016
5CUP
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BU of 5cup by Molmil
Structure of Rhodopseudomonas palustris PduL - phosphate bound form
Descriptor: PHOSPHATE ION, Phosphate propanoyltransferase, ZINC ION
Authors:Sutter, M, Erbilgin, O, Kerfeld, C.A.
Deposit date:2015-07-24
Release date:2016-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Structural Basis of Coenzyme A Recycling in a Bacterial Organelle.
Plos Biol., 14, 2016
5D21
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BU of 5d21 by Molmil
Multivalency Effects in Glycopeptide Dendrimer Inhibitors of Pseudomonas aeruginosa Biofilms Targeting Lectin LecA
Descriptor: CALCIUM ION, LecA, phenyl beta-D-galactopyranoside
Authors:Bergmann, M, Michaud, G, Visini, R, Jin, X, Stocker, A, Darbre, T, Reymond, J.-L.
Deposit date:2015-08-05
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Multivalency effects on Pseudomonas aeruginosa biofilm inhibition and dispersal by glycopeptide dendrimers targeting lectin LecA.
Org.Biomol.Chem., 14, 2016
5U8M
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BU of 5u8m by Molmil
A novel family of redox sensors in the streptococci evolved from two-component response regulators
Descriptor: Response regulator
Authors:Han, L, Silvaggi, N.R.
Deposit date:2016-12-14
Release date:2017-12-20
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.105 Å)
Cite:RitR is an archetype for a novel family of redox sensors in the streptococci that has evolved from two-component response regulators and is required for pneumococcal colonization.
PLoS Pathog., 14, 2018
4JCK
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BU of 4jck by Molmil
Galectin-3 carbohydrate recognition domain in complex with thioditaloside
Descriptor: CHLORIDE ION, Galectin-3, beta-D-talopyranose-(1-1)-1-thio-beta-D-talopyranose
Authors:Bum-Erdene, K, Blanchard, H.
Deposit date:2013-02-22
Release date:2013-07-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Investigation into the feasibility of thioditaloside as a novel scaffold for galectin-3-specific inhibitors.
Chembiochem, 14, 2013
4JGX
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BU of 4jgx by Molmil
The Structure of Sterol Carrier Protein 2 from the Yeast Yarrowia Lipolytica
Descriptor: CITRIC ACID, Fatty acid-binding protein, PALMITIC ACID
Authors:De Berti, F.P, Capaldi, S, Acierno, J.P, Klinke, S, Monaco, H.L, Ermacora, M.R.
Deposit date:2013-03-04
Release date:2013-12-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of sterol carrier protein 2 from Yarrowia lipolytica and the evolutionary conservation of a large, non-specific lipid-binding cavity.
J.Struct.Funct.Genom., 14, 2013
5TFX
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BU of 5tfx by Molmil
New method for synthesis of benzoxazole amide inhibitors of carbonic anhydrase
Descriptor: Carbonic anhydrase 2, GLYCEROL, N-(5-sulfamoyl-1,3-benzoxazol-2-yl)benzamide, ...
Authors:Peat, T.S, Supuran, C.
Deposit date:2016-09-26
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Intramolecular oxidative deselenization of acylselenoureas: a facile synthesis of benzoxazole amides and carbonic anhydrase inhibitors.
Org. Biomol. Chem., 14, 2016
4JC1
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BU of 4jc1 by Molmil
Galectin-3 carbohydrate recognition domain in complex with thiodigalactoside
Descriptor: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose
Authors:Collins, P.M, Blanchard, H.
Deposit date:2013-02-21
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Investigation into the feasibility of thioditaloside as a novel scaffold for galectin-3-specific inhibitors.
Chembiochem, 14, 2013
2Z5L
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BU of 2z5l by Molmil
The first ketoreductase of the tylosin PKS
Descriptor: Tylactone synthase starter module and modules 1 & 2
Authors:Keatinge-Clay, A.T, Stroud, R.M.
Deposit date:2007-07-14
Release date:2007-08-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A tylosin ketoreductase reveals how chirality is determined in polyketides
Chem.Biol., 14, 2007
4JIP
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BU of 4jip by Molmil
Crystal structure of glycerol trinitrate reductase NerA from Agrobacterium radiobacter in complex with 4-hydroxybenzaldehyde
Descriptor: FLAVIN MONONUCLEOTIDE, GTN Reductase, P-HYDROXYBENZALDEHYDE
Authors:Oberdorfer, G, Gruber, K.
Deposit date:2013-03-06
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The Structure of Glycerol Trinitrate Reductase NerA from Agrobacterium radiobacter Reveals the Molecular Reason for Nitro- and Ene-Reductase Activity in OYE Homologues.
Chembiochem, 14, 2013
5UPQ
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BU of 5upq by Molmil
Acyl-CoA synthetase PtmA2 from Streptomyces platensis in complex with SBNP465 ligand
Descriptor: 5'-O-[(R)-{[(7beta,8alpha,9beta,10alpha,13alpha,16beta)-7,16-dihydroxy-18-oxokauran-18-yl]oxy}(hydroxy)phosphoryl]adenosine, Acyl-CoA synthetase PtmA2, CHLORIDE ION, ...
Authors:Osipiuk, J, Hatzos-Skintges, C, Endres, M, Babnigg, G, Rudolf, J.D, Chang, C.Y, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2017-02-03
Release date:2017-02-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Natural separation of the acyl-CoA ligase reaction results in a non-adenylating enzyme.
Nat. Chem. Biol., 14, 2018
3CG1
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BU of 3cg1 by Molmil
Crystal structure of P. furiosus periplasmic binding protein ModA/WtpA with bound tungstate
Descriptor: TUNGSTATE(VI)ION, UPF0100 protein PF0080
Authors:Comellas-Bigler, M, Hollenstein, K, Locher, K.P.
Deposit date:2008-03-04
Release date:2009-03-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Distorted octahedral coordination of tungstate in a subfamily of specific binding proteins.
J.Biol.Inorg.Chem., 14, 2009
5V8D
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BU of 5v8d by Molmil
Structure of Bacillus cereus PatB1 with sulfonyl adduct
Descriptor: Bacillus cereus PatB1, SULFATE ION
Authors:Sychantha, D, Little, D.J, Chapman, R.N, Boons, G.J, Robinson, H, Howell, P.L, Clarke, A.J.
Deposit date:2017-03-21
Release date:2017-10-18
Last modified:2020-01-08
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:PatB1 is an O-acetyltransferase that decorates secondary cell wall polysaccharides.
Nat. Chem. Biol., 14, 2018

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PDB entries from 2024-09-11

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