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1E5C
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BU of 1e5c by Molmil
Internal xylan binding domain from C. fimi Xyn10A, R262G mutant
Descriptor: XYLANASE D
Authors:Simpson, P.J, Hefang, X, Bolam, D.N, Gilbert, H.J, Williamson, M.P.
Deposit date:2000-07-24
Release date:2001-05-25
Last modified:2018-10-24
Method:SOLUTION NMR
Cite:The Structural Basis for the Ligand Specificity of Family 2 Carbohydrate Binding Nodules
J.Biol.Chem., 275, 2000
4WDC
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BU of 4wdc by Molmil
High-resolution crystal structure of water-soluble FraC (mutation F16P)
Descriptor: Fragaceatoxin C
Authors:Caaveiro, J.M.M, Morante, K, Tsumoto, K.
Deposit date:2014-09-08
Release date:2015-03-18
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:A Pore-Forming Toxin Requires a Specific Residue for Its Activity in Membranes with Particular Physicochemical Properties
J.Biol.Chem., 290, 2015
1EVR
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BU of 1evr by Molmil
The structure of the resorcinol/insulin R6 hexamer
Descriptor: CHLORIDE ION, INSULIN, RESORCINOL, ...
Authors:Smith, G.D, Ciszak, E, Magrum, L.A, Pangborn, W.A, Blessing, R.H.
Deposit date:2000-04-20
Release date:2000-12-04
Last modified:2017-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:R6 hexameric insulin complexed with m-cresol or resorcinol.
Acta Crystallogr.,Sect.D, 56, 2000
4UWB
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BU of 4uwb by Molmil
Fibroblast growth factor receptor 1 kinase in complex with JK-P5
Descriptor: 1,2-ETHANEDIOL, FIBROBLAST GROWTH FACTOR RECEPTOR 1, N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-3-carboxamide, ...
Authors:Beeston, H, Tucker, J, Kankanala, J.
Deposit date:2014-08-11
Release date:2015-09-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Validation of IMS-MS as a screening tool to identify type II kinase inhibitors of FGFR1 kinase.
Rapid Commun Mass Spectrom, 2021
4UWC
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BU of 4uwc by Molmil
Fibroblast growth factor receptor 1 kinase in complex with JK-P3
Descriptor: 1,2-ETHANEDIOL, 3,4-dimethoxy-N-(5-phenyl-1H-pyrazol-3-yl)benzamide, FIBROBLAST GROWTH FACTOR RECEPTOR 1, ...
Authors:Beeston, H, Tucker, J, Kankanala, J.
Deposit date:2014-08-11
Release date:2015-09-02
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Validation of IMS-MS as a screening tool to identify type II kinase inhibitors of FGFR1 kinase.
Rapid Commun Mass Spectrom, 2021
1EWM
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BU of 1ewm by Molmil
THE CYSTEINE PROTEASE CRUZAIN BOUND TO WRR-112
Descriptor: CRUZAIN, N-[3-CARBOXY-2-HYDROXY-PROPIONYL]-L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE
Authors:Brinen, L.S, Gillmor, S.A, Fletterick, R.J.
Deposit date:2000-04-26
Release date:2003-06-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cruzain bound to WRR-112
To be Published
1EF7
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BU of 1ef7 by Molmil
CRYSTAL STRUCTURE OF HUMAN CATHEPSIN X
Descriptor: CATHEPSIN X
Authors:Guncar, G, Klemencic, I, Turk, B, Turk, V, Karaoglanovic-Carmona, A, Juliano, L, Turk, D.
Deposit date:2000-02-07
Release date:2000-03-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Crystal structure of cathepsin X: a flip-flop of the ring of His23 allows carboxy-monopeptidase and carboxy-dipeptidase activity of the protease.
Structure Fold.Des., 8, 2000
4UQP
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BU of 4uqp by Molmil
High-resolution structure of the D. fructosovorans NiFe-hydrogenase L122A mutant after exposure to air
Descriptor: CARBONMONOXIDE-(DICYANO) IRON, FE3-S4 CLUSTER, GLYCEROL, ...
Authors:Volbeda, A, Martin, L, Barbier, E, Gutierrez-Sanz, O, DeLacey, A.L, Liebgott, P.P, Dementin, S, Rousset, M, Fontecilla-Camps, J.C.
Deposit date:2014-06-24
Release date:2014-10-29
Last modified:2023-03-15
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystallographic Studies of [Nife]-Hydrogenase Mutants: Towards Consensus Structures for the Elusive Unready Oxidized States.
J.Biol.Inorg.Chem., 20, 2015
4UZW
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BU of 4uzw by Molmil
High-resolution NMR structures of the domains of Saccharomyces cerevisiae Tho1
Descriptor: PROTEIN THO1
Authors:Jacobsen, J.O.B, Allen, M.D, Freund, S.M.V, Bycroft, M.
Deposit date:2014-09-09
Release date:2014-12-17
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:High-Resolution NMR Structures of the Domains of Saccharomyces Cerevisiae Tho1.
Acta Crystallogr.,Sect.F, 72, 2016
3MNB
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BU of 3mnb by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. First stage of radiation damage
Descriptor: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
Authors:Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
Deposit date:2010-04-21
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.198 Å)
Cite:X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
4UQT
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BU of 4uqt by Molmil
RRM-peptide structure in RES complex
Descriptor: PRE-MRNA-SPLICING FACTOR CWC26, U2 SNRNP COMPONENT IST3
Authors:Tripsianes, K, Friberg, A, Barrandon, C, Seraphin, B, Sattler, M.
Deposit date:2014-06-25
Release date:2014-09-03
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:A Novel Protein-Protein Interaction in the Res (Retention and Splicing) Complex.
J.Biol.Chem., 289, 2014
4V10
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BU of 4v10 by Molmil
Skelemin Association with alpha2b,beta3 Integrin: A Structural Model
Descriptor: MYOMESIN-1
Authors:Gorbatyuk, V, Deshmukh, L, Nguyen, K, Vinogradova, O.
Deposit date:2014-09-19
Release date:2014-10-08
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Skelemin Association with Alphaiibbeta3 Integrin: A Structural Model.
Biochemistry, 53, 2014
3MO3
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BU of 3mo3 by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Fifth stage of radiation damage
Descriptor: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
Authors:Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
Deposit date:2010-04-22
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.805 Å)
Cite:X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3MO9
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BU of 3mo9 by Molmil
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Seventh stage of radiation damage
Descriptor: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
Authors:Petrova, T, Ginell, S, Kim, Y, Joachimiak, G, Joachimiak, A.
Deposit date:2010-04-22
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.003 Å)
Cite:X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
3MQL
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BU of 3mql by Molmil
Crystal structure of the fibronectin 6FnI1-2FnII7FnI fragment
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Erat, M.C, Campbell, I.D, Vakonakis, I.
Deposit date:2010-04-28
Release date:2010-08-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:Implications for collagen binding from the crystallographic structure of fibronectin 6FnI1-2FnII7FnI
J.Biol.Chem., 285, 2010
6WIT
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BU of 6wit by Molmil
Crystal structure of NHP D15.SD7 Fab in complex with 16055 V1V2 1FD6 scaffold
Descriptor: 16055 V1V2 1FD6 Scaffold, 2-acetamido-2-deoxy-beta-D-glucopyranose, NHP GN1-SD7 Fab Heavy Chain, ...
Authors:Liban, T, Aljedani, S, Rodarte, J, Pancera, M.
Deposit date:2020-04-10
Release date:2021-04-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
3MAA
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BU of 3maa by Molmil
Complex of GS-Alpha with the Catalytic Domains of Mammalian Adenylyl Cyclase: Complex with Adenosine 5-O-(l-Thiophosphate) and Low Ca Concentration
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, ADENOSINE-5'-RP-ALPHA-THIO-TRIPHOSPHATE, Adenylate cyclase type 2, ...
Authors:Mou, T.-C, Sprang, S.R.
Deposit date:2010-03-23
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural basis for inhibition of mammalian adenylyl cyclase by calcium.
Biochemistry, 48, 2009
3M1O
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BU of 3m1o by Molmil
Human Transthyretin (TTR) complexed with 2-((3,5-dichloro-4-hydroxyphenyl)amino)benzoic acid
Descriptor: 2-[(3,5-dichloro-4-hydroxyphenyl)amino]benzoic acid, Transthyretin
Authors:Kolstoe, S.E, Wood, S.P.
Deposit date:2010-03-05
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Trapping of palindromic ligands within native transthyretin prevents amyloid formation.
Proc.Natl.Acad.Sci.USA, 107, 2010
4UXM
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BU of 4uxm by Molmil
Crystal Structure of Struthiocalcin-1, a different crystal form.
Descriptor: (4-CARBOXYPHENYL)(CHLORO)MERCURY, STRUTHIOCALCIN-1
Authors:Ruiz-Arellano, R.R, Moreno, A, Romero, A.
Deposit date:2014-08-26
Release date:2015-04-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Struthiocalcin-1, an Intramineral Protein from Struthio Camelus Eggshell, in Two Different Crystal Forms.
Acta Crystallogr.,Sect.D, 71, 2015
4UY3
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BU of 4uy3 by Molmil
Cytoplasmic domain of bacterial cell division protein ezra
Descriptor: SEPTATION RING FORMATION REGULATOR EZRA
Authors:Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J.
Deposit date:2014-08-28
Release date:2014-10-22
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis.
Nat.Commun., 5, 2014
4V1S
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BU of 4v1s by Molmil
Structure of the GH76 alpha-mannanase BT2949 from Bacteroides thetaiotaomicron
Descriptor: ALPHA-1,6-MANNANASE, GLYCEROL
Authors:Thompson, A.J, Cuskin, F, Spears, R.J, Dabin, J, Turkenburg, J.P, Gilbert, H.J, Davies, G.J.
Deposit date:2014-10-02
Release date:2015-02-11
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of the Gh76 Alpha-Mannanase Homolog, Bt2949, from the Gut Symbiont Bacteroides Thetaiotaomicron
Acta Crystallogr.,Sect.D, 71, 2015
4UU2
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BU of 4uu2 by Molmil
Ferulic acid decarboxylase from Enterobacter sp., single mutant
Descriptor: FERULIC ACID DECARBOXYLASE, GLYCINE, PHOSPHATE ION, ...
Authors:Hromic, A, Pavkov-Keller, T, Steinkellner, G, Lyskowski, A, Wuensch, C, Gross, J, Fuchs, M, Fauland, K, Glueck, S.M, Faber, K, Gruber, K.
Deposit date:2014-07-24
Release date:2015-06-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Regioselective Enzymatic Beta-Carboxylation of Para-Hydroxy-Styrene Derivatives Catalyzed by Phenolic Acid Decarboxylases.
Adv. Synth. Catal., 357, 2015
4UUO
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BU of 4uuo by Molmil
Apo Trichomonas vaginalis malate dehydrogenase
Descriptor: CYTOSOLIC MALATE DEHYDROGENASE
Authors:Steindel, P.A, Chen, E.H, Theobald, D.L.
Deposit date:2014-07-29
Release date:2015-08-12
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.842 Å)
Cite:Gradual Neofunctionalization in the Convergent Evolution of Trichomonad Lactate and Malate Dehydrogenases.
Protein Sci., 25, 2016
3MIB
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BU of 3mib by Molmil
Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound nitrite
Descriptor: COPPER (II) ION, GLYCEROL, NICKEL (II) ION, ...
Authors:Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M.
Deposit date:2010-04-10
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
4UWL
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Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (8S)-2-[(3R)-3-methylmorpholin-4-yl]-9-(3-methyl-2-oxobutyl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SULFATE ION
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015

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