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4H07
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BU of 4h07 by Molmil
Complex of G65T Myoglobin with Phenol in its Proximal Cavity
Descriptor: 1,2-ETHANEDIOL, Myoglobin, PHENOL, ...
Authors:Lebioda, L, Lovelace, L.L, Celeste, L.R, Huang, X, Wang, C, Shengfang, S, Dawson, J.H.
Deposit date:2012-09-07
Release date:2012-11-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Complex of myoglobin with phenol bound in a proximal cavity.
Acta Crystallogr.,Sect.F, 68, 2012
4H3B
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BU of 4h3b by Molmil
Crystal Structure of JNK3 in Complex with SAB Peptide
Descriptor: Mitogen-activated protein kinase 10, SH3 domain-binding protein 5
Authors:Nwachukwu, J.C, Laughlin, J.D, Figuera-Losada, M, Cherry, L, Nettles, K.W, LoGrasso, P.V.
Deposit date:2012-09-13
Release date:2012-11-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Structural Mechanisms of Allostery and Autoinhibition in JNK Family Kinases.
Structure, 20, 2012
4H3T
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BU of 4h3t by Molmil
Crystal structure of CRISPR-associated protein Cse1 from Acidimicrobium ferrooxidans
Descriptor: CRISPR-associated protein, Cse1 family, GLYCEROL
Authors:Michalska, K, Stols, L, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2012-09-14
Release date:2012-09-26
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of CRISPR-associated protein Cse1 from Acidimicrobium ferrooxidans
To be Published
3LUA
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BU of 3lua by Molmil
Crystal structure of a Signal receiver domain of Two component Signal Transduction (Histidine Kinase) from Clostridium thermocellum
Descriptor: Response regulator receiver protein
Authors:Satyanarayana, L, Burley, S.K, Swaminathan, S, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2010-02-17
Release date:2010-03-23
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a Signal receiver domain of Two component Signal Transduction (Histidine Kinase) from Clostridium thermocellum
To be Published
3LM8
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BU of 3lm8 by Molmil
Crystal Structure of Thiamine pyrophosphokinase from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR677
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, MAGNESIUM ION, PHOSPHATE ION, ...
Authors:Kuzin, A, Abashidze, M, Seetharaman, J, Mao, M, Xiao, R, Foote, E.L, Ciccosanti, C, Wang, H, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-01-29
Release date:2010-03-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Northeast Structural Genomics Consortium Target SR677
To be Published
3LWE
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BU of 3lwe by Molmil
The crystal structure of MPP8
Descriptor: M-phase phosphoprotein 8
Authors:Li, Z, Li, Z, Ruan, J, Xu, C, Tong, Y, Pan, P.W, Tempel, W, Crombet, L, Min, J, Zang, J, Structural Genomics Consortium (SGC)
Deposit date:2010-02-23
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for specific binding of human MPP8 chromodomain to histone H3 methylated at lysine 9.
Plos One, 6, 2011
3LMS
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BU of 3lms by Molmil
Structure of human activated thrombin-activatable fibrinolysis inhibitor, TAFIa, in complex with tick-derived funnelin inhibitor, TCI.
Descriptor: CALCIUM ION, CHLORIDE ION, Carboxypeptidase B2, ...
Authors:Sanglas, L, Arolas, J.L, Valnickova, Z, Aviles, F.X, Enghild, J.J, Gomis-Ruth, F.X.
Deposit date:2010-02-01
Release date:2010-02-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insights into the molecular inactivation mechanism of human activated thrombin-activatable fibrinolysis inhibitor
J.Thromb.Haemost., 8, 2010
4ZPM
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BU of 4zpm by Molmil
Crystal Structure of Protocadherin Alpha C2 EC1-3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Protein Pcdhac2, ...
Authors:Goodman, K.M, Mannepalli, S, Shapiro, L.
Deposit date:2015-05-08
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions.
Cell, 163, 2015
4ZQR
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BU of 4zqr by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis
Descriptor: GLYCEROL, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase, PHOSPHATE ION, ...
Authors:Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-05-11
Release date:2015-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.692 Å)
Cite:Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Plos One, 10, 2015
4ZNM
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BU of 4znm by Molmil
Crystal structure of SgcC5 protein from Streptomyces globisporus (apo form)
Descriptor: C-domain type II peptide synthetase, CHLORIDE ION, SODIUM ION
Authors:Michalska, K, Bigelow, L, Jedrzejczak, R, Babnigg, G, Lohman, J, Ma, M, Rudolf, J, Chang, C.-Y, Shen, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2015-05-04
Release date:2015-05-27
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Crystal structure of SgcC5 protein from Streptomyces globisporus (apo form)
To Be Published
3LP4
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BU of 3lp4 by Molmil
Crystal structure of human arginase I in complex with L-LYSINE, 1.90A Resolution.
Descriptor: Arginase-1, LYSINE, MANGANESE (II) ION
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2010-02-04
Release date:2010-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition of human arginase I by substrate and product analogues.
Arch.Biochem.Biophys., 496, 2010
4ZPN
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BU of 4zpn by Molmil
Crystal Structure of Protocadherin Gamma C5 EC1-3 with extended N-terminus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, MCG133388, ...
Authors:Goodman, K.M, Wolcott, H.N, Bahna, F, Shapiro, L.
Deposit date:2015-05-08
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Molecular Logic of Neuronal Self-Recognition through Protocadherin Domain Interactions.
Cell, 163, 2015
3LRH
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BU of 3lrh by Molmil
Structure of anti-huntingtin VL domain in complex with huntingtin peptide
Descriptor: Huntingtin, anti-huntingtin VL domain
Authors:Schiefner, A, Chatwell, L, Skerra, A.
Deposit date:2010-02-11
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Disulfide-Free Single-Domain V(L) Intrabody with Blocking Activity towards Huntingtin Reveals a Novel Mode of Epitope Recognition.
J.Mol.Biol., 414, 2011
3L73
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BU of 3l73 by Molmil
Cytochrome BC1 complex from chicken with triazolone inhibitor
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, 4-[7-(3,3-dimethylbut-1-yn-1-yl)naphthalen-1-yl]-5-methoxy-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one, CARDIOLIPIN, ...
Authors:Huang, L, Berry, E.A.
Deposit date:2009-12-27
Release date:2010-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Famoxadone and related inhibitors bind like methoxy acrylate inhibitors in the Qo site of the BC1 compl and fix the rieske iron-sulfur protein in a positio close to but distinct from that seen with stigmatellin and other "DISTAL" Qo inhibitors.
To be Published
3L8R
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BU of 3l8r by Molmil
The crystal structure of PtcA from S. mutans
Descriptor: Putative PTS system, cellobiose-specific IIA component
Authors:Lei, J, Liu, X, Li, L.
Deposit date:2010-01-03
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The crystal structure of PtcA from Streptococcus mutans
To be Published
4ZQP
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BU of 4zqp by Molmil
Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Mycobacterium tuberculosis in the complex with IMP and the inhibitor MAD1
Descriptor: 5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine, GLYCEROL, INOSINIC ACID, ...
Authors:Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-05-10
Release date:2015-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mycobacterium tuberculosis IMPDH in Complexes with Substrates, Products and Antitubercular Compounds.
Plos One, 10, 2015
7SI9
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BU of 7si9 by Molmil
Room temperature X-ray structure of SARS-CoV-2 main protease (Mpro) in complex with PF-07321332
Descriptor: (1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2021-10-12
Release date:2021-10-20
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease
Nat Commun, 13, 2022
3LYD
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BU of 3lyd by Molmil
Crystal structure of Putative uncharacterized protein from Jonesia denitrificans
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Uncharacterized protein
Authors:Chang, C, Volkart, L, Bearden, J, Wu, D, Eisen, J, Kerfeld, C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-02-26
Release date:2010-03-09
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of Putative uncharacterized protein from Jonesia denitrificans
To be Published
5A55
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BU of 5a55 by Molmil
The native structure of GH101 from Streptococcus pneumoniae TIGR4
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE, ...
Authors:Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
Deposit date:2015-06-16
Release date:2015-09-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
3LZ7
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BU of 3lz7 by Molmil
Crystal Structure of thioesterase HI1161 EC3.1.2.- from Haemophilus influenzae. Orthorombic crystal form. Northeast Structural Genomics Consortium Target IR63
Descriptor: DI(HYDROXYETHYL)ETHER, Putative esterase HI1161
Authors:Kuzin, A, Min, S, Seetharaman, J, Janjua, J, Xiao, R, Foote, E.L, Ciccosanti, C, Cooper, B, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-03-01
Release date:2010-03-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.191 Å)
Cite:Northeast Structural Genomics Consortium Target IR63
To be Published
3LPO
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BU of 3lpo by Molmil
Crystal structure of the N-terminal domain of sucrase-isomaltase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Sucrase-isomaltase, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2010-02-05
Release date:2010-03-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for substrate selectivity in human maltase-glucoamylase and sucrase-isomaltase N-terminal domains.
J.Biol.Chem., 285, 2010
3LRG
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BU of 3lrg by Molmil
Structure of anti-huntingtin VL domain
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, IMIDAZOLE, anti-huntingtin VL domain
Authors:Schiefner, A, Chatwell, L, Skerra, A.
Deposit date:2010-02-11
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A Disulfide-Free Single-Domain V(L) Intrabody with Blocking Activity towards Huntingtin Reveals a Novel Mode of Epitope Recognition.
J.Mol.Biol., 414, 2011
5ADX
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BU of 5adx by Molmil
CryoEM structure of dynactin complex at 4.0 angstrom resolution
Descriptor: ACTIN RELATED PROTEIN 1, ACTIN RELATED PROTEIN 11, ACTIN, ...
Authors:Zhang, K, Urnavicius, L, Diamant, A.G, Motz, C, Schlage, M.A, Yu, M, Patel, N.A, Robinson, C.V, Carter, A.P.
Deposit date:2015-08-24
Release date:2015-12-30
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4 Å)
Cite:The Structure of the Dynactin Complex and its Interaction with Dynein.
Science, 347, 2015
3LS8
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BU of 3ls8 by Molmil
Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol
Descriptor: 3-(4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenol, CHLORIDE ION, GLYCEROL, ...
Authors:Tresaugues, L, Welin, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Kraulis, P, Moche, M, Nyman, T, Persson, C, Schuler, H, Schutz, P, Siponen, M.I, Thorsell, A.G, Van den Berg, S, Wahlberg, E, Weigelt, J, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2010-02-12
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of human PIK3C3 in complex with 3-[4-(4-Morpholinyl)thieno[3,2-d]pyrimidin-2-yl]-phenol
To be Published
5AFR
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BU of 5afr by Molmil
N-terminal fragment of dynein heavy chain
Descriptor: DYNEIN HEAVY CHAIN, CYTOPLASMIC
Authors:Urnavicius, L, Zhang, K, Diamant, A.G, Motz, C, Schlager, M.A, Yu, M, Patel, N.A, Robinson, C.V, Carter, A.P.
Deposit date:2015-01-23
Release date:2015-02-18
Last modified:2018-04-25
Method:X-RAY DIFFRACTION (5 Å)
Cite:The Structure of the Dynactin Complex and its Interaction with Dynein.
Science, 347, 2015

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