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3S5C
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BU of 3s5c by Molmil
Crystal Structure of a Hexachlorocyclohexane dehydrochlorinase (LinA) Type2
Descriptor: LinA
Authors:Kukshal, V, Macwan, A.S, Kumar, A, Ramachandran, R.
Deposit date:2011-05-23
Release date:2012-05-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of the hexachlorocyclohexane dehydrochlorinase (LinA-type2): mutational analysis, thermostability and enantioselectivity
Plos One, 7, 2012
3S5P
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BU of 3s5p by Molmil
Crystal structure of ribose-5-phosphate isomerase B RpiB from Giardia lamblia
Descriptor: Ribose 5-phosphate isomerase, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-05-23
Release date:2011-06-01
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of ribose-5-phosphate isomerase B RpiB from Giardia lamblia
To be Published
4URQ
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BU of 4urq by Molmil
Crystal Structure of GGDEF domain (I site mutant) from T.maritima
Descriptor: DIGUANYLATE CYCLASE
Authors:Deepthi, A, Liew, C.W, Liang, Z.X, Swamianthan, K, Lescar, J.
Deposit date:2014-07-01
Release date:2014-10-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of a Diguanylate Cyclase from Thermotoga Maritima: Insights Into Activation, Feedback Inhibition and Thermostability
Plos One, 9, 2014
3SKG
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BU of 3skg by Molmil
Crystal structure of beta-site app-cleaving enzyme 1 (BACE-WT) complex with (2S)-2-((3R)-3-acetamido-3-isobutyl-2-oxo-1-pyrrolidinyl)-N-((1S,2R)-1-(3,5-difluorobenzyl)-2-hydroxy-2-(1,2,3,4-tetrahydro-3-isoquinolinyl)ethyl)-4-phenylbutanamide
Descriptor: (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide, Beta-secretase 1
Authors:Muckelbauer, J.K.
Deposit date:2011-06-22
Release date:2011-09-07
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:Synthesis and in vivo evaluation of cyclic diaminopropane BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
4URX
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BU of 4urx by Molmil
The crystal structure of H-Ras and SOS in complex with ligands
Descriptor: 1-(4-bromobenzyl)pyrrolidine, 6-bromo-1H-indole, FORMIC ACID, ...
Authors:Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
Deposit date:2014-07-02
Release date:2015-03-04
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4W7Z
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BU of 4w7z by Molmil
Tetrameric BAP29 vDED without disulfide bonds
Descriptor: ACETATE ION, B-cell receptor-associated protein 29, SULFATE ION
Authors:Quistgaard, E.M.
Deposit date:2014-08-22
Release date:2014-10-29
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A disulfide polymerized protein crystal.
Chem.Commun.(Camb.), 50, 2014
3SL4
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BU of 3sl4 by Molmil
Crystal structure of the catalytic domain of PDE4D2 with compound 10D
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, ...
Authors:Feil, S.F.
Deposit date:2011-06-24
Release date:2011-10-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Thiophene inhibitors of PDE4: Crystal structures show a second binding mode at the catalytic domain of PDE4D2.
Bioorg.Med.Chem.Lett., 21, 2011
4W8G
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BU of 4w8g by Molmil
Crystal structure of the TIR domain of the Toll-related Receptor TRR-2 from the lower metazoan Hydra magnipapillata (crystal form I)
Descriptor: Toll-receptor-related 2
Authors:Weisse, R.H.-J, Scheidig, A.J.
Deposit date:2014-08-24
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the TIR domain of the Toll-related Receptor TRR-2 from the lower metazoan Hydra magnipapillata (crystal form I)
To Be Published
3J8C
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BU of 3j8c by Molmil
Model of the human eIF3 PCI-MPN octamer docked into the 43S EM map
Descriptor: Eukaryotic translation initiation factor 3 subunit A, Eukaryotic translation initiation factor 3 subunit C, Eukaryotic translation initiation factor 3 subunit E, ...
Authors:Erzberger, J.P, Ban, N.
Deposit date:2014-10-08
Release date:2014-10-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (11.6 Å)
Cite:Molecular Architecture of the 40SeIF1eIF3 Translation Initiation Complex.
Cell(Cambridge,Mass.), 158, 2014
4UUC
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BU of 4uuc by Molmil
Crystal structure of human ASB11 ankyrin repeat domain
Descriptor: ANKYRIN REPEAT AND SOCS BOX PROTEIN 11
Authors:Pinkas, D.M, Sanvitale, C, Kragh Nielsen, T, Guo, K, Sorrell, F, Berridge, G, Ayinampudi, V, Wang, D, Newman, J.A, Tallant, C, Chaikuad, A, Canning, P, Kopec, J, Krojer, T, Vollmar, M, Allerston, C.K, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Bullock, A.
Deposit date:2014-07-25
Release date:2014-08-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure of Human Asb11 Ankyrin Repeat Domain
To be Published
4UUJ
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BU of 4uuj by Molmil
POTASSIUM CHANNEL KCSA-FAB WITH TETRAHEXYLAMMONIUM
Descriptor: ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, COBALT (II) ION, ...
Authors:Lenaeus, M.J, Burdette, D, Wagner, T, Focia, P.J, Gross, A.
Deposit date:2014-07-29
Release date:2014-08-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Kcsa in Complex with Symmetrical Quaternary Ammonium Compounds Reveal a Hydrophobic Binding Site.
Biochemistry, 53, 2014
3SM3
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BU of 3sm3 by Molmil
Crystal Structure of SAM-dependent methyltransferases Q8PUK2_METMA from Methanosarcina mazei. Northeast Structural Genomics Consortium Target MaR262.
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, SAM-dependent methyltransferases
Authors:Vorobiev, S, Neely, H, Seetharaman, J, Snyder, A, Patel, P, Xiao, R, Ciccosanti, C, 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:2011-06-27
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Crystal Structure of SAM-dependent methyltransferases Q8PUK2_METMA from Methanosarcina mazei.
To be Published, 2009
3SMS
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BU of 3sms by Molmil
Human Pantothenate kinase 3 in complex with a pantothenate analog
Descriptor: (2R)-N-[3-(heptylamino)-3-oxopropyl]-2,4-dihydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, Pantothenate kinase 3, ...
Authors:Mottaghi, K, Tempel, W, Hong, B, Smil, D, Bolshan, Y, Wernimont, A.K, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2011-06-28
Release date:2011-07-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human Pantothenate kinase 3 in complex with a pantothenate analog
to be published
4UW3
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BU of 4uw3 by Molmil
Human galectin-7 in complex with a galactose based dendron D1.
Descriptor: DENDRON-D1, HUMAN GALECTIN-7
Authors:Ramaswamy, S, Sleiman, M.H, Masuyer, G, Arbez-Gindre, C, Micha-Screttas, M, Calogeropoulou, T, Steele, B.R, Acharya, K.R.
Deposit date:2014-08-08
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.479 Å)
Cite:Structural Basis of Multivalent Galactose-Based Dendrimer Recognition by Human Galectin-7.
FEBS J., 282, 2015
3S82
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BU of 3s82 by Molmil
Structure of a S-adenosylmethionine synthetase from Mycobacterium avium
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-05-27
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3S8G
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BU of 3s8g by Molmil
1.8 A structure of ba3 cytochrome c oxidase mutant (A120F) from Thermus thermophilus in lipid environment
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, COPPER (II) ION, Cytochrome c oxidase polypeptide 2A, ...
Authors:Tiefenbrunn, T, Liu, W, Chen, Y, Katritch, V, Stout, C.D, Fee, J.A, Cherezov, V.
Deposit date:2011-05-27
Release date:2011-08-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High resolution structure of the ba3 cytochrome c oxidase from Thermus thermophilus in a lipidic environment.
Plos One, 6, 2011
4V07
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BU of 4v07 by Molmil
Dimeric pseudorabies virus protease pUL26N at 2.1 A resolution
Descriptor: CHLORIDE ION, MAGNESIUM ION, UL26
Authors:Zuehlsdorf, M, Werten, S, Palm, G.J, Hinrichs, W.
Deposit date:2014-09-11
Release date:2015-07-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin Pul26N, a Herpesvirus Serine Protease
Plos Pathog., 11, 2015
4V1B
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BU of 4v1b by Molmil
Structure of a novel carbohydrate binding module from glycoside hydrolase family 5 glucanase from Ruminococcus flavefaciens FD-1 collected at the Zn edge
Descriptor: CARBOHYDRATE BINDING MODULE
Authors:Venditto, I, Centeno, M.S.J, Ferreira, L.M.A, Fontes, C.M.G.A, Najmudin, S.
Deposit date:2014-09-25
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Complexity of the Ruminococcus Flavefaciens Cellulosome Reflects an Expansion in Glycan Recognition.
Proc.Natl.Acad.Sci.USA, 113, 2016
4W9X
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BU of 4w9x by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with baricitinib
Descriptor: 1,2-ETHANEDIOL, BMP-2-inducible protein kinase, Baricitinib
Authors:Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-08-28
Release date:2014-09-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
4WAA
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BU of 4waa by Molmil
Crystal structure of Nix LIR-fused human LC3B_2-119
Descriptor: Microtubule-associated proteins 1A/1B light chain 3B
Authors:Suzuki, H, Ravichandran, A.C, Dobson, R.C.J, Novak, I, Wakatsuki, S.
Deposit date:2014-08-29
Release date:2015-09-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Phosphorylation of the mitochondrial autophagy receptor Nix enhances its interaction with LC3 proteins.
Sci Rep, 7, 2017
4V2N
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BU of 4v2n by Molmil
Crystallographic structure of thioredoxin from Litopenaeus vannamei: Radiation damage effect at 85 MGy, focused in disulfide bonds
Descriptor: ACETATE ION, SULFATE ION, THIOREDOXIN
Authors:Campos-Acevedo, A.A, Rudino-Pinera, E.
Deposit date:2014-10-10
Release date:2015-01-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Crystallographic Studies Evidencing the High Energy Tolerance to Disrupting the Interface Disulfide Bond of Thioredoxin 1 from White Leg Shrimp Litopenaeus Vannamei.
Molecules, 19, 2014
4URO
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BU of 4uro by Molmil
Crystal Structure of Staph GyraseB 24kDa in complex with Novobiocin
Descriptor: DNA GYRASE SUBUNIT B, NOVOBIOCIN
Authors:Lu, J, Patel, S, Sharma, N, Soisson, S, Kishii, R, Takei, M, Fukuda, Y, Lumb, K.J, Singh, S.B.
Deposit date:2014-07-01
Release date:2014-07-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Structures of Kibdelomycin Bound to Staphylococcus Aureus Gyrb and Pare Showed a Novel U-Shaped Binding Mode.
Acs Chem.Biol., 9, 2014
3SOE
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BU of 3soe by Molmil
Crystal Structure of the 3rd PDZ domain of the human Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (MAGI3)
Descriptor: 1,2-ETHANEDIOL, Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3
Authors:Ivarsson, Y, Filippakopoulos, P, Picaud, S, Vollmar, M, von Delft, F, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, Knapp, S, Zimmermann, P, Structural Genomics Consortium (SGC)
Deposit date:2011-06-30
Release date:2011-07-27
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the 3rd PDZ domain of the human Membrane-associated guanylate kinase, WW and PDZ domain-containing protein 3 (MAGI3)
To be Published
4USL
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BU of 4usl by Molmil
The X-ray structure of calcium bound human sorcin
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, SORCIN, ...
Authors:Ilari, A, Fiorillo, A, Colotti, G.
Deposit date:2014-07-10
Release date:2015-07-29
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural Basis of Sorcin-Mediated Calcium-Dependent Signal Transduction.
Sci.Rep., 5, 2015
4WAG
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BU of 4wag by Molmil
Phosphatidylinositol 4-kinase III beta crystallized with MI103 inhibitor
Descriptor: 6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine, Phosphatidylinositol 4-kinase beta,Phosphatidylinositol 4-kinase beta
Authors:Chalupska, D, Boura, E.
Deposit date:2014-08-29
Release date:2015-05-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.407 Å)
Cite:Highly Selective Phosphatidylinositol 4-Kinase III beta Inhibitors and Structural Insight into Their Mode of Action.
J.Med.Chem., 58, 2015

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数据于2025-07-09公开中

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