6K3B
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![BU of 6k3b by Molmil](/molmil-images/mine/6k3b) | Crystal structure of Lpg2147-Lpg2149 complex | Descriptor: | Lpg2147, Uncharacterized protein | Authors: | Mu, Y, Wang, Y, Han, Y, Li, D, Feng, Y. | Deposit date: | 2019-05-17 | Release date: | 2020-04-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.974 Å) | Cite: | Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC. Nat Commun, 11, 2020
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6K41
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![BU of 6k41 by Molmil](/molmil-images/mine/6k41) | cryo-EM structure of alpha2BAR-GoA complex | Descriptor: | 4-[(1~{S})-1-(2,3-dimethylphenyl)ethyl]-1~{H}-imidazole, Alpha-2A adrenergic receptor,Endolysin,Alpha-2B adrenergic receptor,Alpha-2B adrenergic receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Yuan, D, Liu, Z, Wang, H.W, Kobilka, B.K. | Deposit date: | 2019-05-23 | Release date: | 2020-04-15 | Last modified: | 2020-05-13 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Activation of the alpha2Badrenoceptor by the sedative sympatholytic dexmedetomidine. Nat.Chem.Biol., 16, 2020
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5AMF
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![BU of 5amf by Molmil](/molmil-images/mine/5amf) | Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment Ethyl 4,5,6,7- tetrahydro-1H-indazole-5-carboxylate (SGC - Diamond I04-1 fragment screening) | Descriptor: | BROMODOMAIN-CONTAINING PROTEIN 1, ETHYL (5R)-4,5,6,7-TETRAHYDRO-1H-INDAZOLE-5-CARBOXYLATE, SODIUM ION | Authors: | Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F. | Deposit date: | 2015-03-10 | Release date: | 2015-03-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment Ethyl 4,5,6,7-Tetrahydro-1H-Indazole-5-Carboxylate To be Published
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1KVK
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![BU of 1kvk by Molmil](/molmil-images/mine/1kvk) | The Structure of Binary complex between a Mammalian Mevalonate Kinase and ATP: Insights into the Reaction Mechanism and Human Inherited Disease | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, mevalonate kinase | Authors: | Fu, Z, Wang, M, Potter, D, Mizioko, H.M, Kim, J.J. | Deposit date: | 2002-01-26 | Release date: | 2002-03-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Structure of a Binary complex
between a Mammalian Mevalonate Kinase and ATP: Insights into the
Reaction Mechanism and Human Inherited Disease J.Biol.Chem., 277, 2002
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5AME
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![BU of 5ame by Molmil](/molmil-images/mine/5ame) | Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening) | Descriptor: | 4-acetyl-piperazin-2-one, BROMODOMAIN-CONTAINING PROTEIN 1, SODIUM ION | Authors: | Pearce, N.M, Fairhead, M, Strain-Damerell, C, Talon, R, Wright, N, Ng, J.T, Bradley, A, Cox, O, Bowkett, D, Collins, P, Brandao-Neto, J, Douangamath, A, Krojer, T, Burgess-Brown, N, Brennan, P, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F. | Deposit date: | 2015-03-10 | Release date: | 2015-03-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.578 Å) | Cite: | Crystal Structure of the Bromodomain of Human Surface Epitope Engineered Brd1A in Complex with 3D Consortium Fragment 4-Acetyl-Piperazin-2-One To be Published
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5BX7
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![BU of 5bx7 by Molmil](/molmil-images/mine/5bx7) | PKA in complex with a benzothiophene fragment compound. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-benzothiophen-3-ylmethanol, ... | Authors: | Narayanan, D, Alam, K.A, Engh, R.A. | Deposit date: | 2015-06-08 | Release date: | 2016-09-14 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.89 Å) | Cite: | PKA based studies of ligand interactions with a methionine gatekeeper. To Be Published
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5BXJ
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![BU of 5bxj by Molmil](/molmil-images/mine/5bxj) | Complex of the Fk1 domain mutant A19T of FKBP51 with 4-Nitrophenol | Descriptor: | P-NITROPHENOL, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Wu, D, Tao, X, Chen, Z, Han, J, Jia, W, Li, X, Wang, Z, He, Y.X. | Deposit date: | 2015-06-09 | Release date: | 2016-05-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | The environmental endocrine disruptor p-nitrophenol interacts with FKBP51, a positive regulator of androgen receptor and inhibits androgen receptor signaling in human cells J. Hazard. Mater., 307, 2016
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6K97
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![BU of 6k97 by Molmil](/molmil-images/mine/6k97) | Crystal structure of fusion DH domain | Descriptor: | Fusion DH, SULFATE ION | Authors: | Kawasaki, D, Miyanaga, A, Chisuga, T, Kudo, F, Eguchi, T. | Deposit date: | 2019-06-14 | Release date: | 2019-11-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Functional and Structural Analyses of the Split-Dehydratase Domain in the Biosynthesis of Macrolactam Polyketide Cremimycin. Biochemistry, 58, 2019
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6K04
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![BU of 6k04 by Molmil](/molmil-images/mine/6k04) | Crystal structure of BRD2(BD2)with ligand BY27 bound | Descriptor: | (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine, Bromodomain-containing protein 2 | Authors: | Lu, T, Lu, W, Chen, D, Zhao, Y, Luo, C. | Deposit date: | 2019-05-05 | Release date: | 2019-09-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.251 Å) | Cite: | Discovery, structural insight, and bioactivities of BY27 as a selective inhibitor of the second bromodomains of BET proteins. Eur.J.Med.Chem., 182, 2019
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1KXR
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![BU of 1kxr by Molmil](/molmil-images/mine/1kxr) | Crystal Structure of Calcium-Bound Protease Core of Calpain I | Descriptor: | CALCIUM ION, thiol protease DOMAINS I AND II | Authors: | Moldoveanu, T, Hosfield, C.M, Lim, D, Elce, J.S, Jia, Z, Davies, P.L. | Deposit date: | 2002-02-01 | Release date: | 2002-03-20 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | A Ca(2+) switch aligns the active site of calpain. Cell(Cambridge,Mass.), 108, 2002
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6I5F
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![BU of 6i5f by Molmil](/molmil-images/mine/6i5f) | Crystal structure of DNA-free E.coli MutS P839E dimer mutant | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA mismatch repair protein MutS, GLYCEROL, ... | Authors: | Bhairosing-Kok, D, Groothuizen, F.S, Fish, A, Dharadhar, S, Winterwerp, H.H.K, Sixma, T.K. | Deposit date: | 2018-11-13 | Release date: | 2019-08-14 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Sharp kinking of a coiled-coil in MutS allows DNA binding and release. Nucleic Acids Res., 47, 2019
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1KVA
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![BU of 1kva by Molmil](/molmil-images/mine/1kva) | E. COLI RIBONUCLEASE HI D134A MUTANT | Descriptor: | RIBONUCLEASE H | Authors: | Kashiwagi, T, Jeanteur, D, Haruki, M, Katayanagi, K, Kanaya, S, Morikawa, K. | Deposit date: | 1996-10-04 | Release date: | 1997-03-12 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Proposal for new catalytic roles for two invariant residues in Escherichia coli ribonuclease HI. Protein Eng., 9, 1996
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1ILX
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![BU of 1ilx by Molmil](/molmil-images/mine/1ilx) | Excited State Dynamics in Photosystem II Revised. New Insights from the X-ray Structure. | Descriptor: | 2,3-DIMETHYL-5-(3,7,11,15,19,23,27,31,35-NONAMETHYL-2,6,10,14,18,22,26,30,34-HEXATRIACONTANONAENYL-2,5-CYCLOHEXADIENE-1,4-DIONE-2,3-DIMETHYL-5-SOLANESYL-1,4-BENZOQUINONE, CADMIUM ION, CHLOROPHYLL A, ... | Authors: | Vasilev, S, Orth, P, Zouni, A, Owens, T.G, Bruce, D. | Deposit date: | 2001-05-09 | Release date: | 2001-07-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | Excited-state dynamics in photosystem II: insights from the x-ray crystal structure. Proc.Natl.Acad.Sci.USA, 98, 2001
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6I7H
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![BU of 6i7h by Molmil](/molmil-images/mine/6i7h) | Crystal structure of dimeric FICD mutant K256S | Descriptor: | Adenosine monophosphate-protein transferase FICD, MAGNESIUM ION | Authors: | Perera, L.A, Yan, Y, Read, R.J, Ron, D. | Deposit date: | 2018-11-16 | Release date: | 2019-09-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | An oligomeric state-dependent switch in the ER enzyme FICD regulates AMPylation and deAMPylation of BiP. Embo J., 38, 2019
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6IKO
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![BU of 6iko by Molmil](/molmil-images/mine/6iko) | Crystal structure of mouse GAS7cb | Descriptor: | Growth arrest-specific protein 7 | Authors: | Hanawa-Suetsugu, K, Itoh, Y, Kohda, D, Shimada, A, Suetsugu, S. | Deposit date: | 2018-10-16 | Release date: | 2019-10-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.756 Å) | Cite: | Phagocytosis is mediated by two-dimensional assemblies of the F-BAR protein GAS7. Nat Commun, 10, 2019
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6I8K
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![BU of 6i8k by Molmil](/molmil-images/mine/6i8k) | Dye type peroxidase Aa from Streptomyces lividans: 164 kGy structure | Descriptor: | Deferrochelatase/peroxidase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ebrahim, A, Moreno-Chicano, T, Worrall, J.A.R, Strange, R.W, Axford, D, Sherrell, D.A, Appleby, M, Owen, R.L. | Deposit date: | 2018-11-20 | Release date: | 2019-07-31 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Dose-resolved serial synchrotron and XFEL structures of radiation-sensitive metalloproteins. Iucrj, 6, 2019
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1ISR
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![BU of 1isr by Molmil](/molmil-images/mine/1isr) | Crystal Structure of Metabotropic Glutamate Receptor Subtype 1 Complexed with Glutamate and Gadolinium Ion | Descriptor: | GADOLINIUM ATOM, GLUTAMIC ACID, Metabotropic Glutamate Receptor subtype 1 | Authors: | Tsuchiya, D, Kunishima, N, Kamiya, N, Jingami, H, Morikawa, K. | Deposit date: | 2001-12-21 | Release date: | 2002-03-13 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | Structural views of the ligand-binding cores of a metabotropic glutamate receptor complexed with an antagonist and both glutamate and Gd3+. Proc.Natl.Acad.Sci.USA, 99, 2002
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6IB2
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![BU of 6ib2 by Molmil](/molmil-images/mine/6ib2) | The structure of MKK7 in complex with the covalent 4-amino-pyrazolopyrimidine 4a | Descriptor: | 1-[(3~{R})-3-[4-azanyl-3-[1-(4-ethanoylphenyl)-1,2,3-triazol-4-yl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7 | Authors: | Wolle, P, Hardick, J, Mueller, M.P, Rauh, D. | Deposit date: | 2018-11-28 | Release date: | 2019-02-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting the MKK7-JNK (Mitogen-Activated Protein Kinase Kinase 7-c-Jun N-Terminal Kinase) Pathway with Covalent Inhibitors. J.Med.Chem., 62, 2019
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1ITY
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![BU of 1ity by Molmil](/molmil-images/mine/1ity) | Solution structure of the DNA binding domain of human TRF1 | Descriptor: | TRF1 | Authors: | Nishikawa, T, Okamura, H, Nagadoi, A, Konig, P, Rhodes, D, Nishimura, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2002-02-15 | Release date: | 2002-03-06 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a telomeric DNA complex of human TRF1 Structure, 9, 2001
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1IXZ
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![BU of 1ixz by Molmil](/molmil-images/mine/1ixz) | Crystal structure of the FtsH ATPase domain from Thermus thermophilus | Descriptor: | ATP-dependent metalloprotease FtsH, MERCURY (II) ION, SULFATE ION | Authors: | Niwa, H, Tsuchiya, D, Makyio, H, Yoshida, M, Morikawa, K. | Deposit date: | 2002-07-10 | Release date: | 2002-11-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Hexameric ring structure of the ATPase domain of the membrane-integrated metalloprotease FtsH from Thermus thermophilus HB8 Structure, 10, 2002
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6IKN
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![BU of 6ikn by Molmil](/molmil-images/mine/6ikn) | Crystal structure of the GAS7 F-BAR domain | Descriptor: | Growth arrest-specific protein 7 | Authors: | Hanawa-Suetsugu, K, Itoh, Y, Kohda, D, Shimada, A, Suetsugu, S. | Deposit date: | 2018-10-16 | Release date: | 2019-10-16 | Last modified: | 2019-10-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Phagocytosis is mediated by two-dimensional assemblies of the F-BAR protein GAS7. Nat Commun, 10, 2019
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4ZSY
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![BU of 4zsy by Molmil](/molmil-images/mine/4zsy) | Pig Brain GABA-AT inactivated by (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic acid. | Descriptor: | (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid, 4-aminobutyrate aminotransferase, mitochondrial, ... | Authors: | Wu, R, Lee, H, Le, H.V, Doud, E, Sanishvili, R, Compton, P, Kelleher, N.L, Silverman, R.B, Liu, D. | Deposit date: | 2015-05-14 | Release date: | 2015-07-08 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism of Inactivation of GABA Aminotransferase by (E)- and (Z)-(1S,3S)-3-Amino-4-fluoromethylenyl-1-cyclopentanoic Acid. Acs Chem.Biol., 10, 2015
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6IV5
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![BU of 6iv5 by Molmil](/molmil-images/mine/6iv5) | Crystal structure of arabidopsis N6-mAMP deaminase MAPDA | Descriptor: | Adenosine/AMP deaminase family protein, PHOSPHATE ION, ZINC ION | Authors: | Wu, B.X, Zhang, D, Nie, H.B, Shen, S.L, Li, S.S, Patel, D.J. | Deposit date: | 2018-12-02 | Release date: | 2019-02-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | Structure ofArabidopsis thaliana N6-methyl-AMP deaminase ADAL with bound GMP and IMP and implications forN6-methyl-AMP recognition and processing. Rna Biol., 16, 2019
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4ZWC
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![BU of 4zwc by Molmil](/molmil-images/mine/4zwc) | Crystal structure of maltose-bound human GLUT3 in the outward-open conformation at 2.6 angstrom | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ... | Authors: | Deng, D, Sun, P.C, Yan, C.Y, Yan, N. | Deposit date: | 2015-05-19 | Release date: | 2015-07-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis of ligand recognition and transport by glucose transporters Nature, 526, 2015
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4ZW9
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![BU of 4zw9 by Molmil](/molmil-images/mine/4zw9) | Crystal structure of human GLUT3 bound to D-glucose in the outward-occluded conformation at 1.5 angstrom | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Solute carrier family 2, facilitated glucose transporter member 3, ... | Authors: | Deng, D, Sun, P.C, Yan, C.Y, Yan, N. | Deposit date: | 2015-05-19 | Release date: | 2015-07-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.502 Å) | Cite: | Molecular basis of ligand recognition and transport by glucose transporters Nature, 526, 2015
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