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3IQR
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BU of 3iqr by Molmil
SAM-I riboswitch from T. tencongensis variant A94G bound with SAM
Descriptor: BARIUM ION, S-ADENOSYLMETHIONINE, SAM-I riboswitch
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-08-20
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Free state conformational sampling of the SAM-I riboswitch aptamer domain.
Structure, 18, 2010
3I7C
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BU of 3i7c by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumped kinase inhibitor NA-PP2
Descriptor: 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2010-02-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
7O18
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BU of 7o18 by Molmil
N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET282
Descriptor: (R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole, 1,2-ETHANEDIOL, Bromodomain-containing protein 4
Authors:Chung, C.
Deposit date:2021-03-28
Release date:2021-10-13
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression.
J.Med.Chem., 64, 2021
2RMR
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BU of 2rmr by Molmil
Solution structure of mSin3A PAH1 domain
Descriptor: Paired amphipathic helix protein Sin3a
Authors:Sahu, S.C, Swanson, K.A, Kang, R.S, Huang, K, Brubaker, K, Ratcliff, K, Radhakrishnan, I.
Deposit date:2007-11-14
Release date:2008-01-22
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Conserved Themes in Target Recognition by the PAH1 and PAH2 Domains of the Sin3 Transcriptional Corepressor
J.Mol.Biol., 375, 2007
3IQN
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BU of 3iqn by Molmil
Free-state structural transitions of the SAM-I riboswitch
Descriptor: BARIUM ION, POTASSIUM ION, S-ADENOSYLMETHIONINE, ...
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-08-20
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Free state conformational sampling of the SAM-I riboswitch aptamer domain.
Structure, 18, 2010
3IQI
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BU of 3iqi by Molmil
Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide MNENI
Descriptor: Cysteine synthase, MNENI
Authors:Roderick, S.L.
Deposit date:2009-08-20
Release date:2009-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design of o-acetylserine sulfhydrylase inhibitors by mimicking nature.
J.Med.Chem., 53, 2010
6MS4
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BU of 6ms4 by Molmil
Crystal structure of the DENR-MCT-1 complex
Descriptor: Density-regulated protein, GLYCEROL, Malignant T-cell-amplified sequence 1, ...
Authors:Lomakin, I.B, Steitz, T.A, Dmitriev, S.E.
Deposit date:2018-10-16
Release date:2019-01-02
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Crystal structure of the DENR-MCT-1 complex revealed zinc-binding site essential for heterodimer formation.
Proc. Natl. Acad. Sci. U.S.A., 116, 2019
3IKO
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BU of 3iko by Molmil
Crystal structure of the heterotrimeric Sec13-Nup145C-Nup84 nucleoporin complex
Descriptor: Nucleoporin NUP145C, Nucleoporin NUP84, Protein transport protein SEC13
Authors:Nagy, V, Hsia, K.-C, Debler, E.W, Davenport, A, Blobel, G, Hoelz, A.
Deposit date:2009-08-06
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of a trimeric nucleoporin complex reveals alternate oligomerization states.
Proc.Natl.Acad.Sci.USA, 106, 2009
3IQP
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BU of 3iqp by Molmil
SAM-I riboswitch from T. tencongensis variant A94G apo form
Descriptor: BARIUM ION, SAM-I riboswitch
Authors:Montange, R.K, Batey, R.T.
Deposit date:2009-08-20
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Free state conformational sampling of the SAM-I riboswitch aptamer domain.
Structure, 18, 2010
3IQG
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BU of 3iqg by Molmil
Structure of O-Acetylserine Sulfhydrylase in Complex with Peptide MNWNI
Descriptor: Cysteine synthase, MNWNI
Authors:Roderick, S.L.
Deposit date:2009-08-20
Release date:2009-11-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of o-acetylserine sulfhydrylase inhibitors by mimicking nature.
J.Med.Chem., 53, 2010
4H4G
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BU of 4h4g by Molmil
Crystal Structure of (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase from Burkholderia thailandensis E264
Descriptor: (3R)-hydroxymyristoyl-[acyl-carrier-protein] dehydratase
Authors:Craig, T.K, Edwards, T.E, Staker, B, Stewart, L, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-09-17
Release date:2012-10-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
7NVP
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BU of 7nvp by Molmil
Trypanothione reductase from Trypanosoma brucei in complex with N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, N(1),N(8)-bis(glutathionyl)spermidine reductase, ...
Authors:Battista, T, Fiorillo, A, Colotti, G, Ilari, A.
Deposit date:2021-03-15
Release date:2022-03-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.153 Å)
Cite:Optimization of Potent and Specific Trypanothione Reductase Inhibitors: A Structure-Based Drug Discovery Approach.
Acs Infect Dis., 8, 2022
2VKL
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BU of 2vkl by Molmil
X-ray crystal structure of the intracellular Chorismate mutase from Mycobactrerium Tuberculosis in complex with malate
Descriptor: D-MALATE, RV0948C/MT0975
Authors:Okvist, M, Roderer, K, Sasso, S, Kast, P, Krengel, U.
Deposit date:2007-12-20
Release date:2008-01-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and Function of a Complex between Chorismate Mutase and Dahp Synthase: Efficiency Boost for the Junior Partner.
Embo J., 28, 2009
4FDC
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BU of 4fdc by Molmil
Crystal structure of the E493V mutant of human apoptosis inducing factor (AIF)
Descriptor: Apoptosis-inducing factor 1, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Sevrioukova, I.F.
Deposit date:2012-05-27
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cowchock syndrome is associated with a mutation in apoptosis-inducing factor.
Am.J.Hum.Genet., 91, 2012
4FH2
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BU of 4fh2 by Molmil
Structure of s70c beta-lactamase bound to sulbactam
Descriptor: Beta-lactamase SHV-1, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, SULBACTAM
Authors:Rodkey, E.A, van den Akker, F.
Deposit date:2012-06-05
Release date:2012-09-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal structure of a pre-acylation complex of the beta-lactamase inhibitor, sulbactam, bound to a sulfenamide bond containing thiol-beta-lactamase
J.Am.Chem.Soc., 134, 2012
3MOR
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BU of 3mor by Molmil
Crystal structure of Cathepsin B from Trypanosoma Brucei
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Cathepsin B-like cysteine protease, ...
Authors:Cupelli, K, Stehle, T.
Deposit date:2010-04-23
Release date:2011-11-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:In vivo protein crystallization opens new routes in structural biology.
Nat.Methods, 9, 2012
3PQJ
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BU of 3pqj by Molmil
Crystal Structure of the transcriptional repressor BigR from Xylella fastidiosa
Descriptor: Biofilm growth-associated repressor
Authors:Guimaraes, B.G, Benedetti, C.E.
Deposit date:2010-11-26
Release date:2011-06-01
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Plant Pathogenic Bacteria Utilize Biofilm Growth-associated Repressor (BigR), a Novel Winged-helix Redox Switch, to Control Hydrogen Sulfide Detoxification under Hypoxia.
J.Biol.Chem., 286, 2011
4FK8
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BU of 4fk8 by Molmil
Crystal structure of FERREDOXIN-NADP REDUCTASE from burkholderia thailandensis E264 with bound FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-06-12
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3I79
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BU of 3i79 by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1)
Descriptor: 1,2-ETHANEDIOL, Calmodulin-domain protein kinase 1
Authors:Larson, E.T, Merritt, E.A, Medical Structural Genomics of Pathogenic Protozoa (MSGPP)
Deposit date:2009-07-08
Release date:2009-08-11
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Toxoplasma gondii calcium-dependent protein kinase 1 is a target for selective kinase inhibitors.
Nat.Struct.Mol.Biol., 17, 2010
7OHD
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BU of 7ohd by Molmil
CRYSTAL STRUCTURE OF FERRIC MURINE NEUROGLOBIN CDLESS MUTANT
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Exertier, C, Freda, I, Montemiglio, L.C, Savino, C, Cerutti, G, Gugole, E, Vallone, B.
Deposit date:2021-05-10
Release date:2022-07-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Probing the Role of Murine Neuroglobin CDloop-D-Helix Unit in CO Ligand Binding and Structural Dynamics.
Acs Chem.Biol., 17, 2022
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
7OCJ
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BU of 7ocj by Molmil
Crystal structure of E.coli LexA in complex with nanobody NbSOS2(Nb14509)
Descriptor: 1,2-ETHANEDIOL, LexA repressor, NbSOS2 (14509)
Authors:Maso, L, Vascon, F, Chinellato, M, Pardon, E, Steyaert, J, Angelini, A, Tondi, D, Cendron, L.
Deposit date:2021-04-27
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nanobodies targeting LexA autocleavage disclose a novel suppression strategy of SOS-response pathway.
Structure, 30, 2022
6HWN
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BU of 6hwn by Molmil
Structure of Thermus thermophilus ClpP in complex with a tripeptide.
Descriptor: ATP-dependent Clp protease proteolytic subunit, DI(HYDROXYETHYL)ETHER, Unknown tripeptide
Authors:Felix, J, Schanda, P, Fraga, H, Morlot, C.
Deposit date:2018-10-12
Release date:2019-09-18
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mechanism of the allosteric activation of the ClpP protease machinery by substrates and active-site inhibitors.
Sci Adv, 5, 2019
3MQE
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BU of 3mqe by Molmil
Structure of SC-75416 bound at the COX-2 active site
Descriptor: (2S)-7-tert-butyl-6-chloro-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, J.L, Limburg, D, Graneto, M.J, Springer, J, Rogier, J, Kiefer, J.R.
Deposit date:2010-04-28
Release date:2010-10-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: The second clinical candidate having a shorter and favorable human half-life.
Bioorg.Med.Chem.Lett., 20, 2010
3Q2V
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BU of 3q2v by Molmil
Crystal structure of mouse E-cadherin ectodomain
Descriptor: CALCIUM ION, Cadherin-1, MANGANESE (II) ION, ...
Authors:Jin, X, Harrison, O.J, Shapiro, L.
Deposit date:2010-12-20
Release date:2011-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins.
Structure, 19, 2011

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數據於2024-09-04公開中

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