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4DLY
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BU of 4dly by Molmil
Set 1 CaCl2/DTT, ordered off
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CALCIUM ION, GTPase HRas, ...
Authors:Holzapfel, G, Mattos, C.
Deposit date:2012-02-06
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Shift in the Equilibrium between On and Off States of the Allosteric Switch in Ras-GppNHp Affected by Small Molecules and Bulk Solvent Composition.
Biochemistry, 51, 2012
3MWI
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BU of 3mwi by Molmil
The complex crystal Structure of Urokianse and 5-nitro-1H-indole-2-amidine
Descriptor: 5-nitro-1H-indole-2-carboximidamide, SULFATE ION, Urokinase-type plasminogen activator
Authors:Jiang, L.G, Yu, H.Y, Yuan, C, Huang, Z.X, Huang, M.D.
Deposit date:2010-05-06
Release date:2011-06-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:The complex crystal Structure of Urokianse and 5-nitro-1H-indole-2-amidine
To be Published
3WB5
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BU of 3wb5 by Molmil
Crystal Structure of beta secetase in complex with (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-3,4,5,6-tetrahydropyrimidin-4-one
Descriptor: (6S)-2-amino-3,6-dimethyl-6-[(1R,2R)-2-phenylcyclopropyl]-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, DIMETHYL SULFOXIDE, ...
Authors:Yonezawa, S, Fujiwara, K, Yamamoto, T, Hattori, K, Yamakawa, H, Muto, C, Hosono, M, Tanaka, Y, Nakano, T, Takemoto, H, Arisawa, M, Shuto, S.
Deposit date:2013-05-13
Release date:2013-10-02
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2.501 Å)
Cite:Conformational restriction approach to beta-secretase (BACE1) inhibitors III: Effective investigation of the binding mode by combinational use of X-ray analysis, isothermal titration calorimetry and theoretical calculations
Bioorg.Med.Chem., 21, 2013
3MTY
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BU of 3mty by Molmil
Comparison of the character and the speed of X-ray-induced structural changes of porcine pancreatic elastase at two temperatures, 100 and 15K. The data set was collected from region A of the crystal. First step of radiation damage
Descriptor: Chymotrypsin-like elastase family member 1, SODIUM ION, SULFATE ION
Authors:Petrova, T, Ginell, S, Mitschler, A, Cousido-Siah, A, Hazemann, I, Podjarny, A, Joachimiak, A.
Deposit date:2010-05-01
Release date:2010-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:X-ray-induced deterioration of disulfide bridges at atomic resolution.
Acta Crystallogr.,Sect.D, 66, 2010
4DJX
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BU of 4djx by Molmil
Structure of BACE Bound to 5-(3-(5-chloropyridin-3-yl)phenyl)-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one
Descriptor: (2E,5R)-5-[3-(5-chloropyridin-3-yl)phenyl]-5-cyclopropyl-2-imino-3-methylimidazolidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Cumming, J.
Deposit date:2012-02-02
Release date:2012-03-21
Last modified:2012-04-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure based design of iminohydantoin BACE1 inhibitors: Identification of an orally available, centrally active BACE1 inhibitor.
Bioorg.Med.Chem.Lett., 22, 2012
3MUR
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BU of 3mur by Molmil
Crystal Structure of the C92U mutant c-di-GMP riboswith bound to c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), C92U mutant c-di-GMP riboswitch, MAGNESIUM ION, ...
Authors:Strobel, S.A, Smith, K.D.
Deposit date:2010-05-03
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch .
Biochemistry, 49, 2010
3EL0
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BU of 3el0 by Molmil
Crystal structure of the inhibitor Nelfinavir (NFV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation)
Descriptor: 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE, ACETATE ION, PHOSPHATE ION, ...
Authors:Prabu-Jeyabalan, M, King, N.M.
Deposit date:2008-09-19
Release date:2009-09-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Extreme Entropy-Enthalpy Compensation in a Drug-Resistant Variant of HIV-1 Protease.
Acs Chem.Biol., 7, 2012
4DMU
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BU of 4dmu by Molmil
Crystal structure of the von Willebrand factor A3 domain in complex with a collagen III derived triple-helical peptide
Descriptor: Collagen III derived triple-helical peptide, SULFATE ION, von Willebrand factor
Authors:Brondijk, T.H.C, Huizinga, E.G.
Deposit date:2012-02-08
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Implications for collagen I chain registry from the structure of the collagen von Willebrand factor A3 domain complex.
Proc.Natl.Acad.Sci.USA, 109, 2012
3MUM
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BU of 3mum by Molmil
Crystal Structure of the G20A mutant c-di-GMP riboswith bound to c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), G20A mutant c-di-GMP Riboswitch, MAGNESIUM ION, ...
Authors:Strobel, S.A, Smith, K.D.
Deposit date:2010-05-03
Release date:2010-08-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and biochemical determinants of ligand binding by the c-di-GMP riboswitch .
Biochemistry, 49, 2010
3ELO
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BU of 3elo by Molmil
Crystal Structure of Human Pancreatic Prophospholipase A2
Descriptor: Phospholipase A2, SULFATE ION
Authors:Xu, W, Yi, L, Feng, Y, Chen, L, Liu, J.
Deposit date:2008-09-22
Release date:2009-04-14
Last modified:2014-02-05
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structural insight into the activation mechanism of human pancreatic prophospholipase A2
J.Biol.Chem., 284, 2009
4IAX
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BU of 4iax by Molmil
Engineered human lipocalin 2 (CL31) in complex with Y-DTPA
Descriptor: N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, Neutrophil gelatinase-associated lipocalin, YTTRIUM (III) ION
Authors:Eichinger, A, Skerra, A.
Deposit date:2012-12-07
Release date:2013-06-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-guided engineering of Anticalins with improved binding behavior and biochemical characteristics for application in radio-immuno imaging and/or therapy
J.Struct.Biol., 185, 2014
4HVU
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BU of 4hvu by Molmil
Crystal structure of the T98D c-Src-SH3 domain mutant in complex with the high affinity peptide APP12
Descriptor: ACETYL GROUP, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
Authors:Camara-Artigas, A.
Deposit date:2012-11-07
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II.
Acta Crystallogr.,Sect.D, 69, 2013
4IAU
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BU of 4iau by Molmil
Atomic resolution structure of Geodin, a beta-gamma crystallin from Geodia cydonium
Descriptor: Beta-gamma-crystallin, CALCIUM ION, GLYCEROL
Authors:Vergara, A, Grassi, M, Sica, F, Mazzarella, L, Merlino, A.
Deposit date:2012-12-07
Release date:2013-06-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:A novel interdomain interface in crystallins: structural characterization of the [beta][gamma]-crystallin from Geodia cydonium at 0.99 A resolution
Acta Crystallogr.,Sect.D, 69, 2013
3WFT
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BU of 3wft by Molmil
Crystal structure of horse heart myoglobin reconstituted with cobalt(II) tetradehydrocorrin
Descriptor: (1R,19R) cobalt tetradehydrocorrin, (1S,19S) cobalt tetradehydrocorrin, GLYCEROL, ...
Authors:Mizohata, E, Morita, Y, Oohora, K, Hirata, K, Ohbayashi, J, Inoue, T, Hisaeda, Y, Hayashi, T.
Deposit date:2013-07-23
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Co(II)/Co(I) reduction-induced axial histidine-flipping in myoglobin reconstituted with a cobalt tetradehydrocorrin as a methionine synthase model.
Chem.Commun.(Camb.), 50, 2014
3EMS
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BU of 3ems by Molmil
Effect of Ariginine on lysozyme
Descriptor: ARGININE, CHLORIDE ION, Lysozyme C, ...
Authors:Ito, L, Shiraki, K, Matsuura, T, Yamaguhi, H.
Deposit date:2008-09-25
Release date:2008-10-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.651 Å)
Cite:Effect of Ariginine on lysozyme
to be published
3MVS
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BU of 3mvs by Molmil
Structure of the N-terminus of Cadherin 23
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Cadherin-23
Authors:Clark, P, Joseph, J.S, Kolatkar, A.R.
Deposit date:2010-05-04
Release date:2010-06-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Structure of the N terminus of cadherin 23 reveals a new adhesion mechanism for a subset of cadherin superfamily members.
Proc.Natl.Acad.Sci.USA, 107, 2010
3WI8
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BU of 3wi8 by Molmil
Crystal structure of horse heart myoglobin reconstituted with manganese porphycene
Descriptor: Myoglobin, PORPHYCENE CONTAINING MN, SULFATE ION
Authors:Mizohata, E, Oohora, K, Kihira, Y, Inoue, T, Hayashi, T.
Deposit date:2013-09-09
Release date:2014-03-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:C(sp3)-H bond hydroxylation catalyzed by myoglobin reconstituted with manganese porphycene.
J.Am.Chem.Soc., 135, 2013
3MZQ
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BU of 3mzq by Molmil
RNase crystals grown by the hanging drop method
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION
Authors:Mathews, I.I.
Deposit date:2010-05-12
Release date:2011-05-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diffraction study of protein crystals grown in cryoloops and micromounts.
J.Appl.Crystallogr., 43, 2010
4DQG
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BU of 4dqg by Molmil
Crystal Structure of apo(G16C/L38C) HIV-1 Protease
Descriptor: ACETATE ION, Aspartyl protease, GLYCEROL, ...
Authors:Schiffer, C.A, Mittal, S.
Deposit date:2012-02-15
Release date:2012-03-07
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Hydrophobic core flexibility modulates enzyme activity in HIV-1 protease.
J.Am.Chem.Soc., 134, 2012
3MWR
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BU of 3mwr by Molmil
Crystal structure of ribonuclease A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor
Descriptor: GLYCEROL, Ribonuclease pancreatic, LINKER, ...
Authors:Neumann, P, Leich, F.
Deposit date:2010-05-06
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of RNase A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor
Febs J., 278, 2011
4HVL
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BU of 4hvl by Molmil
Structure of a serine protease MycP1, an essential component of the type VII (ESX-1) secretion system
Descriptor: ACETATE ION, CHLORIDE ION, IMIDAZOLE, ...
Authors:Korotkov, K.V, Evans, T.J.
Deposit date:2012-11-06
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Understanding specificity of the mycosin proteases in ESX/type VII secretion by structural and functional analysis.
J.Struct.Biol., 184, 2013
4HVW
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BU of 4hvw by Molmil
Crystal structure of the T98E c-Src-SH3 domain mutant in complex with the high affinity peptide VSL12
Descriptor: ACETYL GROUP, Proto-oncogene tyrosine-protein kinase Src, SULFATE ION, ...
Authors:Camara-Artigas, A.
Deposit date:2012-11-07
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Atomic resolution structures of the c-Src SH3 domain in complex with two high-affinity peptides from classes I and II.
Acta Crystallogr.,Sect.D, 69, 2013
3EG1
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BU of 3eg1 by Molmil
Crystal structure of the N114Q mutant of ABL-SH3 domain complexed with a designed high-affinity peptide ligand: implications for SH3-ligand interactions
Descriptor: Proto-oncogene tyrosine-protein kinase ABL1, SULFATE ION, p41 peptide
Authors:Camara-Artigas, A.
Deposit date:2008-09-10
Release date:2009-09-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl.
J.Biol.Chem., 285, 2010
3EGU
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BU of 3egu by Molmil
Crystal structure of the N114A mutant of ABL-SH3 domain
Descriptor: GLYCEROL, Proto-oncogene tyrosine-protein kinase ABL1, SULFATE ION
Authors:Camara-Artigas, A.
Deposit date:2008-09-11
Release date:2009-09-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Role of interfacial water molecules in proline-rich ligand recognition by the Src homology 3 domain of Abl.
J.Biol.Chem., 285, 2010
3MZR
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BU of 3mzr by Molmil
RNase crystals grown in loops/micromounts
Descriptor: CHLORIDE ION, Ribonuclease pancreatic, SULFATE ION
Authors:Mathews, I.I.
Deposit date:2010-05-12
Release date:2011-05-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diffraction study of protein crystals grown in cryoloops and micromounts.
J.Appl.Crystallogr., 43, 2010

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