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4JZD
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BU of 4jzd by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
Descriptor: 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Jacobson, B.L, Anumula, R.
Deposit date:2013-04-02
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
5LA1
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BU of 5la1 by Molmil
The mechanism by which arabinoxylanases can recognise highly decorated xylans
Descriptor: CALCIUM ION, Carbohydrate binding family 6, TRIS-HYDROXYMETHYL-METHYL-AMMONIUM, ...
Authors:Basle, A, Labourel, A, Cuskin, F, Jackson, A, Crouch, L, Rogowski, A, Gilbert, H.
Deposit date:2016-06-13
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The Mechanism by Which Arabinoxylanases Can Recognize Highly Decorated Xylans.
J.Biol.Chem., 291, 2016
5WSN
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BU of 5wsn by Molmil
Structure of Japanese encephalitis virus
Descriptor: E protein, M protein
Authors:Wang, X, Zhu, L, Li, S, Yuan, S, Qin, C, Fry, E.E, Stuart, I.D, Rao, Z.
Deposit date:2016-12-07
Release date:2017-05-17
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Near-atomic structure of Japanese encephalitis virus reveals critical determinants of virulence and stability
Nat Commun, 8, 2017
4KK3
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BU of 4kk3 by Molmil
YwlE arginine phosphatase - wildtype
Descriptor: Low molecular weight protein-tyrosine-phosphatase YwlE, PHOSPHATE ION
Authors:Fuhrmann, J, Clausen, T.
Deposit date:2013-05-05
Release date:2013-07-03
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for recognizing phosphoarginine and evolving residue-specific protein phosphatases in gram-positive bacteria.
Cell Rep, 3, 2013
4KK4
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BU of 4kk4 by Molmil
YwlE arginine phosphatase - C7S mutant with phosphorylated active site serine
Descriptor: Low molecular weight protein-tyrosine-phosphatase YwlE
Authors:Fuhrmann, J, Clausen, T.
Deposit date:2013-05-05
Release date:2013-07-03
Last modified:2013-07-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for recognizing phosphoarginine and evolving residue-specific protein phosphatases in gram-positive bacteria.
Cell Rep, 3, 2013
5WS8
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BU of 5ws8 by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate
Descriptor: MAGNESIUM ION, OXALATE ION, Pyruvate kinase
Authors:Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
Deposit date:2016-12-06
Release date:2017-11-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5KZJ
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BU of 5kzj by Molmil
Loop Deletion mutant of Paracoccus denitrificans AztC
Descriptor: GLYCEROL, Periplasmic solute binding protein, ZINC ION
Authors:Yukl, E.
Deposit date:2016-07-25
Release date:2017-07-05
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Mechanisms of zinc binding to the solute-binding protein AztC and transfer from the metallochaperone AztD.
J. Biol. Chem., 292, 2017
5WP3
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BU of 5wp3 by Molmil
Crystal Structure of EED in complex with EB22
Descriptor: EB22, Polycomb protein EED, UNKNOWN ATOM OR ION
Authors:Dong, C, Tempel, W, Zhu, L, Moody, J.D, Baker, D, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2017-08-03
Release date:2017-09-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:First critical repressive H3K27me3 marks in embryonic stem cells identified using designed protein inhibitor.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1RC7
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BU of 1rc7 by Molmil
Crystal structure of RNase III Mutant E110K from Aquifex Aeolicus complexed with ds-RNA at 2.15 Angstrom Resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-R(*GP*GP*CP*GP*CP*GP*CP*GP*CP*C)-3', Ribonuclease III
Authors:Blaszczyk, J, Gan, J, Ji, X.
Deposit date:2003-11-03
Release date:2004-03-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Noncatalytic Assembly of Ribonuclease III with Double-Stranded RNA.
Structure, 12, 2004
5WRP
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BU of 5wrp by Molmil
T-state crystal structure of pyruvate kinase from Mycobacterium tuberculosis
Descriptor: PHOSPHATE ION, Pyruvate kinase
Authors:Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
Deposit date:2016-12-02
Release date:2017-11-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
5LA2
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BU of 5la2 by Molmil
The mechanism by which arabinoxylanases can recognise highly decorated xylans
Descriptor: CALCIUM ION, Carbohydrate binding family 6, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-[alpha-L-arabinofuranose-(1-3)]alpha-D-xylopyranose, ...
Authors:Basle, A, Labourel, A, Cuskin, F, Jackson, A, Crouch, L, Rogowski, A, Gilbert, H.
Deposit date:2016-06-13
Release date:2016-08-31
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The Mechanism by Which Arabinoxylanases Can Recognize Highly Decorated Xylans.
J.Biol.Chem., 291, 2016
2YDK
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BU of 2ydk by Molmil
Discovery of Checkpoint Kinase Inhibitor AZD7762 by Structure Based Design and Optimization of Thiophene Carboxamide Ureas
Descriptor: 2-(CARBAMOYLAMINO)-5-PHENYL-N-[(3S)-PIPERIDIN-3-YL]THIOPHENE-3-CARBOXAMIDE, GLYCEROL, SERINE/THREONINE-PROTEIN KINASE CHK1, ...
Authors:Read, J.A, Breed, J, Haye, H, McCall, E, Rowsell, S, Vallentine, A, White, A.
Deposit date:2011-03-22
Release date:2012-04-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Checkpoint Kinase Inhibitor (S)-5-(3-Fluorophenyl)-N-(Piperidin-3-Yl)-3-Ureidothiophene-2-Carboxamide (Azd7762) by Structure-Based Design and Optimization of Thiophenecarboxamide Ureas.
J.Med.Chem., 55, 2012
1RJ5
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BU of 1rj5 by Molmil
Crystal Structure of the Extracellular Domain of Murine Carbonic Anhydrase XIV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CHLORIDE ION, ...
Authors:Whittington, D.A, Grubb, J.H, Waheed, A, Shah, G.N, Sly, W.S, Christianson, D.W.
Deposit date:2003-11-18
Release date:2004-03-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Expression, assay, and structure of the extracellular domain of murine carbonic anhydrase XIV: implications for selective inhibition of membrane-associated isozymes.
J.Biol.Chem., 279, 2004
2YDL
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BU of 2ydl by Molmil
Crystal structure of SH3C from CIN85
Descriptor: SH3 DOMAIN-CONTAINING KINASE-BINDING PROTEIN 1
Authors:Bravo, J, Cardenes, N.
Deposit date:2011-03-22
Release date:2012-03-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Distinct Ubiquitin Binding Modes Exhibited by SH3 Domains: Molecular Determinants and Functional Implications.
Plos One, 8, 2013
4K6B
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BU of 4k6b by Molmil
Atomic structure of bacteriophage HS1 tail needle knob
Descriptor: GLUTAMIC ACID, HS1 knob domain, PHOSPHATE ION
Authors:Bhardwaj, A, Cingolani, G.
Deposit date:2013-04-15
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:The tip of the tail needle affects the rate of DNA delivery by bacteriophage p22.
Plos One, 8, 2013
5WDI
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BU of 5wdi by Molmil
Structure of Human Sts-2 histidine phosphatase domain
Descriptor: SULFATE ION, Ubiquitin-associated and SH3 domain-containing protein A
Authors:Zhou, W, Yin, Y, Weinheimer, A.W, Kaur, N, Carpino, N, French, J.B.
Deposit date:2017-07-05
Release date:2017-08-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structural and Functional Characterization of the Histidine Phosphatase Domains of Human Sts-1 and Sts-2.
Biochemistry, 56, 2017
5WSB
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BU of 5wsb by Molmil
Pyruvate kinase (PYK) from Mycobacterium tuberculosis in complex with Oxalate, allosteric activators AMP and Glucose 6-Phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, ADENOSINE MONOPHOSPHATE, MAGNESIUM ION, ...
Authors:Zhong, W, Cai, Q, El Sahili, A, Lescar, J, Dedon, P.C.
Deposit date:2016-12-06
Release date:2017-11-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Allosteric pyruvate kinase-based "logic gate" synergistically senses energy and sugar levels in Mycobacterium tuberculosis.
Nat Commun, 8, 2017
4K9A
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BU of 4k9a by Molmil
Structure of Ternary Complex of cGAS with dsDNA and Bound 5 -pG(2 ,5 )pA
Descriptor: ADENOSINE MONOPHOSPHATE, Cyclic GMP-AMP synthase, DNA-F, ...
Authors:Gao, P, Wu, Y, Patel, D.J.
Deposit date:2013-04-19
Release date:2013-05-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.264 Å)
Cite:Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase.
Cell(Cambridge,Mass.), 153, 2013
1RM9
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BU of 1rm9 by Molmil
Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code
Descriptor: avermectin-sensitive chloride channel GluCl beta/cyan fluorescent protein fusion
Authors:Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T.
Deposit date:2003-11-27
Release date:2004-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
1RMP
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BU of 1rmp by Molmil
Probing the Role of Tryptophans in Aequorea Victoria Green Fluorescent Proteins with an Expanded Genetic Code
Descriptor: SIGF1-GFP fusion protein
Authors:Budisa, N, Pal, P.P, Alefelder, S, Birle, P, Krywcun, T, Rubini, M, Wenger, W, Bae, J.H, Steiner, T.
Deposit date:2003-11-28
Release date:2004-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3 Å)
Cite:Probing the role of tryptophans in Aequorea victoria green fluorescent proteins with an expanded genetic code
Biol.Chem., 385, 2004
3VT1
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BU of 3vt1 by Molmil
Crystal structure of Ct1,3Gal43A in complex with galactose
Descriptor: Ricin B lectin, beta-D-galactopyranose
Authors:Jiang, D, Fan, J, Wang, X, Zhao, Y, Huang, B, Zhang, X.C.
Deposit date:2012-05-18
Release date:2012-12-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.187 Å)
Cite:Crystal structure of 1,3Gal43A, an exo-beta-1,3-galactanase from Clostridium thermocellum
J.Struct.Biol., 180, 2012
4K97
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BU of 4k97 by Molmil
Structure of Ternary Complex of cGAS with dsDNA and Bound ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclic GMP-AMP synthase, DNA-F, ...
Authors:Gao, P, Wu, Y, Patel, D.J.
Deposit date:2013-04-19
Release date:2013-05-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Cyclic [G(2',5')pA(3',5')p] is the metazoan second messenger produced by DNA-activated cyclic GMP-AMP synthase.
Cell(Cambridge,Mass.), 153, 2013
3VOZ
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BU of 3voz by Molmil
Crystal structure of human glutaminase in complex with BPTES
Descriptor: Glutaminase kidney isoform, mitochondrial, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide), ...
Authors:Thangavelu, K, Sivaraman, J.
Deposit date:2012-02-23
Release date:2012-06-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for the allosteric inhibitory mechanism of human kidney-type glutaminase (KGA) and its regulation by Raf-Mek-Erk signaling in cancer cell metabolism.
Proc.Natl.Acad.Sci.USA, 109, 2012
5WIR
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BU of 5wir by Molmil
Structure of the TRF1-TERB1 interface
Descriptor: TERB1-TBM, Telomeric repeat-binding factor 1
Authors:Nandakumar, J, Pendlebury, D.F, Smith, E.M, Tesmer, V.M.
Deposit date:2017-07-20
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dissecting the telomere-inner nuclear membrane interface formed in meiosis.
Nat. Struct. Mol. Biol., 24, 2017
5L21
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BU of 5l21 by Molmil
Crystal structure of BoNT/A receptor binding domain in complex with VHH C2
Descriptor: Botulinum neurotoxin type A, VHH-C2
Authors:Yao, G, Jin, R.
Deposit date:2016-07-29
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A camelid single-domain antibody neutralizes botulinum neurotoxin A by blocking host receptor binding.
Sci Rep, 7, 2017

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