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3PH6
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BU of 3ph6 by Molmil
Bovine beta lactoglobulin crytsallized through ligandation of yttrium
Descriptor: Beta-lactoglobulin, CHLORIDE ION, YTTRIUM (III) ION
Authors:Zocher, G, Stehle, T.
Deposit date:2010-11-03
Release date:2011-09-21
Last modified:2020-01-15
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Novel Approach to Protein Crystallization through Ligandation of Yttrium Cations
J.Appl.Crystallogr., 44, 2011
4J6K
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BU of 4j6k by Molmil
Crystal structure of calcium2+-free wild-type CD23 lectin domain (crystal form B)
Descriptor: Low affinity immunoglobulin epsilon Fc receptor, SULFATE ION
Authors:Dhaliwal, B, Pang, M.O.Y, Sutton, B.J.
Deposit date:2013-02-11
Release date:2013-08-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformational plasticity at the IgE-binding site of the B-cell receptor CD23.
Mol.Immunol., 56, 2013
4F4T
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BU of 4f4t by Molmil
Human Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
Deposit date:2012-05-11
Release date:2013-05-15
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (1.637 Å)
Cite:Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4APE
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BU of 4ape by Molmil
THE ACTIVE SITE OF ASPARTIC PROTEINASES
Descriptor: ENDOTHIAPEPSIN
Authors:Pearl, L.H, Sewell, B.T, Jenkins, J.A, Cooper, J.B, Blundell, T.L.
Deposit date:1986-06-09
Release date:1986-07-14
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Active Site of Aspartic Proteinases
FEBS Lett., 174, 1984
4EYP
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BU of 4eyp by Molmil
Human Insulin
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Favero-Retto, M.P, Palmieri, L.C, Lima, L.M.T.R.
Deposit date:2012-05-01
Release date:2013-05-01
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Structural meta-analysis of regular human insulin in pharmaceutical formulations.
Eur J Pharm Biopharm, 85, 2013
4J9E
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BU of 4j9e by Molmil
Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P17
Descriptor: P17, SULFATE ION, Tyrosine-protein kinase ABL1
Authors:Camara-Artigas, A.
Deposit date:2013-02-16
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Crystal structure of the N114A mutant of the Abl-SH3 domain complexed with the high affinity peptide P17
To be Published
3GT3
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BU of 3gt3 by Molmil
Structure of proteinase K with the mad triangle B3C
Descriptor: 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid, Proteinase K, SULFATE ION
Authors:Beck, T, Gruene, T, Sheldrick, G.M.
Deposit date:2009-03-27
Release date:2009-04-14
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The magic triangle goes MAD: experimental phasing with a bromine derivative
Acta Crystallogr.,Sect.D, 66, 2010
3PIS
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BU of 3pis by Molmil
Crystal Structure of Carcinoscorpius rotundicauda Serine Protease Inhibitor Domain 1
Descriptor: Kazal-type serine protease inhibitor SPI-1
Authors:Giri, P.K, Tang, X.H, Sivaraman, J.
Deposit date:2010-11-08
Release date:2010-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Modifying the Substrate Specificity of Carcinoscorpius rotundicauda Serine Protease Inhibitor Domain 1 to Target Thrombin
To be Published
3PJ6
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BU of 3pj6 by Molmil
Crystal Structures of Multidrug-Resistant Clinical Isolate 769 HIV-1 Protease Variants
Descriptor: HIV protease
Authors:Yedidi, R.S, Proteasa, G, Martinez-Cajas, J.L, Vickrey, J.F, Martin, P.D, Wawrzak, Z, Kovari, L.C.
Deposit date:2010-11-08
Release date:2011-04-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Contribution of the 80s loop of HIV-1 protease to the multidrug-resistance mechanism: crystallographic study of MDR769 HIV-1 protease variants.
Acta Crystallogr.,Sect.D, 67, 2011
4AMI
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BU of 4ami by Molmil
Turkey beta1 adrenergic receptor with stabilising mutations and bound biased agonist bucindolol
Descriptor: 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile, BETA-1 ADRENERGIC RECEPTOR, HEGA-10
Authors:Warne, T, Edwards, P.C, Leslie, A.G, Tate, C.G.
Deposit date:2012-03-11
Release date:2012-05-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal Structures of a Stabilized Beta1-Adrenoceptor Bound to the Biased Agonists Bucindolol and Carvedilol
Structure, 20, 2012
4F16
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BU of 4f16 by Molmil
Crystal Structure of the alpha spectrin SH3 domain at pH 5
Descriptor: Spectrin alpha chain, brain
Authors:Camara-Artigas, A, Gavira, J.A.
Deposit date:2012-05-06
Release date:2013-05-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Crystal Structure of the alpha spectrin SH3 domain at pH 5
To be Published
3GY8
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BU of 3gy8 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by bis-benzamidines diminazene and pentamidine by X-ray crystallography and ITC
Descriptor: 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ...
Authors:Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
Deposit date:2009-04-03
Release date:2010-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
3Q2L
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BU of 3q2l by Molmil
Mouse E-cadherin EC1-2 V81D mutant
Descriptor: CALCIUM ION, Cadherin-1, PENTAETHYLENE GLYCOL
Authors:Harrison, O.J, Jin, X, Shapiro, L.
Deposit date:2010-12-20
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins.
Structure, 19, 2011
3GV3
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BU of 3gv3 by Molmil
CXCL12 (SDF) in trigonal space group
Descriptor: CXCL12 protein
Authors:Murphy, J.W, Crichlow, G, Lolis, E.
Deposit date:2009-03-30
Release date:2010-01-26
Last modified:2021-10-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Heterologous quaternary structure of CXCL12 and its relationship to the CC chemokine family.
Proteins, 78, 2009
4JDU
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BU of 4jdu by Molmil
The crystal structure of an aerotolerance-related membrane protein from Bacteroides fragilis NCTC 9343 with multiple mutations to serines.
Descriptor: Aerotolerance-related membrane protein, CALCIUM ION, FORMIC ACID
Authors:Fan, Y, Tan, K, Bigelow, L, Bearden, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2013-02-25
Release date:2013-03-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:The crystal structure of an aerotolerance-related membrane protein from Bacteroides fragilis NCTC 9343 with multiple mutations to serines.
To be Published
4AKJ
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BU of 4akj by Molmil
Ligand controlled assembly of hexamers, dihexamers, and linear multihexamer structures by an engineered acylated insulin
Descriptor: CHLORIDE ION, INSULIN A CHAIN, INSULIN B CHAIN, ...
Authors:Steensgaard, D.B, Schluckebier, G, Strauss, H.M, Norrman, M, Thomsen, J.K, Friderichsen, A.V, Havelund, S, Jonassen, I.
Deposit date:2012-02-23
Release date:2013-01-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Ligand Controlled Assembly of Hexamers, Dihexamers, and Linear Multihexamer Structures by the Engineered Acylated Insulin Degludec.
Biochemistry, 52, 2013
3Q40
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BU of 3q40 by Molmil
Sulphur SAD structure solution of proteinase K grown in SO4-less solution.
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Jakoncic, J.
Deposit date:2010-12-22
Release date:2011-06-22
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallization of Macromolecules in Selenate to Solve the Phase Problem
To be Published
3PLQ
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BU of 3plq by Molmil
Crystal structure of PKA type I regulatory subunit bound with Rp-8-Br-cAMPS
Descriptor: (2R,4aR,6R,7R,7aS)-6-(6-amino-8-bromo-9H-purin-9-yl)tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine-2,7-diol 2-sulfide, ZINC ION, cAMP-dependent protein kinase type I-alpha regulatory subunit
Authors:Swaminathan, K.
Deposit date:2010-11-15
Release date:2010-12-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Cyclic AMP analog blocks kinase activation by stabilizing inactive conformation: Conformational selection highlights a new concept in allosteric inhibitor design
To be Published
3PM4
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BU of 3pm4 by Molmil
Endothiapepsin in complex with a fragment
Descriptor: 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide, Endothiapepsin, GLYCEROL
Authors:Koester, H, Heine, A, Klebe, G.
Deposit date:2010-11-16
Release date:2011-11-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:A small nonrule of 3 compatible fragment library provides high hit rate of endothiapepsin crystal structures with various fragment chemotypes.
J.Med.Chem., 54, 2011
4F5A
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BU of 4f5a by Molmil
Triple mutant Src SH2 domain bound to phosphate ion
Descriptor: PHOSPHATE ION, Proto-oncogene tyrosine-protein kinase Src
Authors:Kaneko, T, Huang, H, Cao, X, Li, C, Voss, C, Sidhu, S.S, Li, S.S.
Deposit date:2012-05-12
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Superbinder SH2 Domains Act as Antagonists of Cell Signaling.
Sci.Signal., 5, 2012
4F59
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BU of 4f59 by Molmil
Triple mutant Src SH2 domain
Descriptor: Proto-oncogene tyrosine-protein kinase Src
Authors:Kaneko, T, Huang, H, Cao, X, Li, C, Voss, C, Sidhu, S.S, Li, S.S.
Deposit date:2012-05-12
Release date:2012-10-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Superbinder SH2 Domains Act as Antagonists of Cell Signaling.
Sci.Signal., 5, 2012
3GY6
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BU of 3gy6 by Molmil
A comparative study on the inhibition of bovine beta-trypsin by the bis-benzamidines diminazene and pentamidine
Descriptor: 1,2-ETHANEDIOL, BERENIL, CALCIUM ION, ...
Authors:Perilo, C.S, Pereira, M.T, Santoro, M.M, Nagem, R.A.P.
Deposit date:2009-04-03
Release date:2010-03-23
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural binding evidence of the trypanocidal drugs Berenil and Pentacarinate active principles to a serine protease model.
Int.J.Biol.Macromol., 46, 2010
4EZR
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BU of 4ezr by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with the C-terminal part of drosocin (residues 12 to 19)
Descriptor: Chaperone protein DnaK, Drosocin
Authors:Zahn, M, Straeter, N.
Deposit date:2012-05-03
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Studies on the Forward and Reverse Binding Modes of Peptides to the Chaperone DnaK.
J.Mol.Biol., 425, 2013
4EZW
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BU of 4ezw by Molmil
Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLLLTG
Descriptor: Chaperone protein DnaK, SULFATE ION, synthetic peptide NRLLLTG
Authors:Zahn, M, Straeter, N.
Deposit date:2012-05-03
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Studies on the Forward and Reverse Binding Modes of Peptides to the Chaperone DnaK.
J.Mol.Biol., 425, 2013
4JOO
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BU of 4joo by Molmil
Spirocyclic Beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitors
Descriptor: (4R)-2'-amino-6-bromo-1',2,2-trimethyl-2,3-dihydrospiro[chromene-4,4'-imidazol]-5'(1'H)-one, Beta-secretase 1, NICKEL (II) ION
Authors:Vigers, G.P.A, Smith, D.
Deposit date:2013-03-18
Release date:2013-04-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Spirocyclic beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors: from hit to lowering of cerebrospinal fluid (CSF) amyloid beta in a higher species.
J.Med.Chem., 56, 2013

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