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4PE5
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BU of 4pe5 by Molmil
Crystal Structure of GluN1a/GluN2B NMDA Receptor Ion Channel
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol, ...
Authors:Karakas, E, Furukawa, H.
Deposit date:2014-04-22
Release date:2014-06-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.96 Å)
Cite:Crystal structure of a heterotetrameric NMDA receptor ion channel.
Science, 344, 2014
4PGT
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BU of 4pgt by Molmil
CRYSTAL STRUCTURE OF HGSTP1-1[V104] COMPLEXED WITH THE GSH CONJUGATE OF (+)-ANTI-BPDE
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID, PROTEIN (GLUTATHIONE S-TRANSFERASE), ...
Authors:Ji, X, Blaszczyk, J.
Deposit date:1999-03-22
Release date:1999-09-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and function of residue 104 and water molecules in the xenobiotic substrate-binding site in human glutathione S-transferase P1-1.
Biochemistry, 38, 1999
4PII
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BU of 4pii by Molmil
Crystal structure of hypothetical protein PF0907 from pyrococcus furiosus solved by sulfur SAD using Swiss light source data
Descriptor: CHLORIDE ION, IMIDAZOLE, N-glycosylase/DNA lyase
Authors:Weinert, T, Waltersperger, S, Olieric, V, Panepucci, E, Chen, L, Rose, J.P, Wang, M, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2014-05-08
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Fast native-SAD phasing for routine macromolecular structure determination.
Nat.Methods, 12, 2015
4YMK
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BU of 4ymk by Molmil
Crystal Structure of Stearoyl-Coenzyme A Desaturase 1
Descriptor: Acyl-CoA desaturase 1, STEAROYL-COENZYME A, ZINC ION, ...
Authors:Bai, Y, McCoy, J.G, Rajashankar, K.R, Zhou, M.
Deposit date:2015-03-06
Release date:2015-06-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.605 Å)
Cite:X-ray structure of a mammalian stearoyl-CoA desaturase.
Nature, 524, 2015
4PL7
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BU of 4pl7 by Molmil
Structure of Komagataella pastoris actin-thymosin beta4 hybrid
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Actin,Thymosin beta-4, CALCIUM ION
Authors:Xue, B, Robinson, R.C.
Deposit date:2014-05-16
Release date:2014-10-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of thymosin-beta 4/profilin exchange leading to actin filament polymerization.
Proc.Natl.Acad.Sci.USA, 111, 2014
4YQE
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BU of 4yqe by Molmil
Crystal structure of E. coli WrbA in complex with benzoquinone
Descriptor: 1,4-benzoquinone, FLAVIN MONONUCLEOTIDE, NAD(P)H dehydrogenase (quinone)
Authors:Degtjarik, O, Brynda, J, Ettrichova, O, Carey, J, Kuta Smatanova, I, Ettrich, R.
Deposit date:2015-03-13
Release date:2016-05-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Quantum Calculations Indicate Effective Electron Transfer between FMN and Benzoquinone in a New Crystal Structure of Escherichia coli WrbA.
J.Phys.Chem.B, 120, 2016
4PQE
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BU of 4pqe by Molmil
Crystal Structure of Human Acetylcholinesterase
Descriptor: Acetylcholinesterase
Authors:Dym, O, Unger, T, Toker, L, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC)
Deposit date:2014-03-02
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal Structure of Human Acetylcholinesterase
To be Published
4PU2
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BU of 4pu2 by Molmil
Crystal structure of Aminopeptidase N in complex with the phosphonic acid analogue of leucine L-(R)-LeuP
Descriptor: Aminopeptidase N, GLYCEROL, LEUCINE PHOSPHONIC ACID, ...
Authors:Nocek, B, Vassiliou, S, Berlicki, L, Mulligan, R, Mucha, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-03-11
Release date:2014-06-25
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.095 Å)
Cite:Crystal structure of Aminopeptidase N in complex with the phosphonic acid analogue of leucine
To be Published
4PL0
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BU of 4pl0 by Molmil
Crystal structure of the antibacterial peptide ABC transporter McjD in an outward occluded state
Descriptor: MAGNESIUM ION, Microcin-J25 export ATP-binding/permease protein McjD, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Choudhury, H.G, Beis, K.
Deposit date:2014-05-15
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of an antibacterial peptide ATP-binding cassette transporter in a novel outward occluded state.
Proc.Natl.Acad.Sci.USA, 111, 2014
4PLP
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BU of 4plp by Molmil
Crystal Structure of the Homospermidine Synthase (HSS) from Blastochloris viridis in Complex with NAD
Descriptor: ACETATE ION, Homospermidine synthase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Krossa, S.
Deposit date:2014-05-19
Release date:2015-05-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Comprehensive Structural Characterization of the Bacterial Homospermidine Synthase-an Essential Enzyme of the Polyamine Metabolism.
Sci Rep, 6, 2016
4YK9
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BU of 4yk9 by Molmil
Complex structure of BCL-XL and mutated BIM BH3 domain
Descriptor: ACETATE ION, BH3BIM, Bcl-2-like protein 1, ...
Authors:Ha, N.C, Kim, J.S.
Deposit date:2015-03-04
Release date:2016-04-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Complex structure of BCL-XL and mutated BIM BH3 domain
To be published
4WR5
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BU of 4wr5 by Molmil
Crystal Structure of GST Mutated with Halogenated Tyrosine (7cGST-1)
Descriptor: GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme, SULFATE ION
Authors:Akasaka, R, Kawazoe, M, Tomabechi, Y, Ohtake, K, Itagaki, T, Takemoto, C, Shirouzu, M, Yokoyama, S, Sakamoto, K.
Deposit date:2014-10-23
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Protein stabilization utilizing a redefined codon
Sci Rep, 5, 2015
4WFF
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BU of 4wff by Molmil
Human TRAAK K+ channel in a K+ bound nonconductive conformation
Descriptor: ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT HEAVY CHAIN, ANTI-TRAAK ANTIBODY 13E9 FAB FRAGMENT LIGHT CHAIN, CALCIUM ION, ...
Authors:Brohawn, S.G, MacKinnon, R.
Deposit date:2014-09-15
Release date:2014-12-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Physical mechanism for gating and mechanosensitivity of the human TRAAK K+ channel.
Nature, 516, 2014
4NYK
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BU of 4nyk by Molmil
Structure of a membrane protein
Descriptor: Acid-sensing ion channel 1, CHLORIDE ION
Authors:Baconguis, I, Bohlen, C.J, Goehring, A, Julius, D, Gouaux, E.
Deposit date:2013-12-10
Release date:2014-02-12
Method:X-RAY DIFFRACTION (3 Å)
Cite:Pore architecture and ion sites in acid-sensing ion channels and P2X receptors.
Nature, 460, 2009
4NYT
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BU of 4nyt by Molmil
L-Ficolin Complexed to Phosphocholine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CALCIUM ION, ...
Authors:Laffly, E, Gaboriaud, C, Martin, L, Thielens, N.
Deposit date:2013-12-11
Release date:2014-10-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Human L-ficolin recognizes phosphocholine moieties of pneumococcal teichoic Acid
J.Immunol., 193, 2014
4O44
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BU of 4o44 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in complex with 4-((4-(mesitylamino)-6-(3-morpholinopropoxy)-1,3,5-triazin-2-yl)amino)benzonitrile (JLJ529), a non-nucleoside inhibitor
Descriptor: 4-({4-[3-(morpholin-4-yl)propoxy]-6-[(2,4,6-trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile, HIV-1 reverse transcriptase, p51 subunit, ...
Authors:Mislak, A.C, Frey, K.M, Anderson, K.S.
Deposit date:2013-12-18
Release date:2014-05-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.889 Å)
Cite:A mechanistic and structural investigation of modified derivatives of the diaryltriazine class of NNRTIs targeting HIV-1 reverse transcriptase.
Biochim.Biophys.Acta, 1840, 2014
4WYG
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BU of 4wyg by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis complexed with a fragment hit
Descriptor: 1,2-ETHANEDIOL, 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Dai, R, Finzel, B.C.
Deposit date:2014-11-17
Release date:2015-07-08
Last modified:2015-07-22
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4NZQ
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BU of 4nzq by Molmil
Crystal structure of Ca2+-free prothrombin deletion mutant residues 146-167
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Prothrombin
Authors:Pozzi, N, Chen, Z, Shropshire, D.B, Pelc, L.A, Di Cera, E.
Deposit date:2013-12-12
Release date:2014-05-21
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.807 Å)
Cite:The linker connecting the two kringles plays a key role in prothrombin activation.
Proc.Natl.Acad.Sci.USA, 111, 2014
4WZ6
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BU of 4wz6 by Molmil
Human CFTR aa389-678 (NBD1), deltaF508 with three solubilizing mutations, bound ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cystic fibrosis transmembrane conductance regulator, MAGNESIUM ION
Authors:Byrnes, L.J, Hall, J.
Deposit date:2014-11-18
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Binding screen for cystic fibrosis transmembrane conductance regulator correctors finds new chemical matter and yields insights into cystic fibrosis therapeutic strategy.
Protein Sci., 25, 2016
4X0L
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BU of 4x0l by Molmil
Human haptoglobin-haemoglobin complex
Descriptor: CACODYLATE ION, GLYCEROL, Haptoglobin, ...
Authors:Lane-Serff, H, MacGregor, P, Lowe, E.D, Carrington, M, Higgins, M.K.
Deposit date:2014-11-21
Release date:2014-12-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for ligand and innate immunity factor uptake by the trypanosome haptoglobin-haemoglobin receptor.
Elife, 3, 2014
4X3V
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BU of 4x3v by Molmil
Crystal structure of human ribonucleotide reductase 1 bound to inhibitor
Descriptor: N~6~-{N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methyl-D-alanyl}-D-lysine, Ribonucleoside-diphosphate reductase large subunit, THYMIDINE-5'-TRIPHOSPHATE
Authors:Dealwis, C.G, Ahmad, M.F, Alam, I.
Deposit date:2014-12-01
Release date:2015-11-11
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Identification of Non-nucleoside Human Ribonucleotide Reductase Modulators.
J.Med.Chem., 58, 2015
4Y6D
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BU of 4y6d by Molmil
Factor Xa complex with GTC000101
Descriptor: 4-[(3S)-3-({[(E)-2-(5-chlorothiophen-2-yl)ethenyl]sulfonyl}amino)-2-oxopyrrolidin-1-yl]-3-fluoro-N,N-dimethylbenzamide, Coagulation factor X
Authors:Convery, M.A.
Deposit date:2015-02-12
Release date:2015-09-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:TBA
To Be Published
4YAF
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BU of 4yaf by Molmil
rat CYPOR with 2'-AMP
Descriptor: ADENOSINE-2'-MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Xia, C, Kim, J.J.P.
Deposit date:2015-02-17
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Mutants of Cytochrome P450 Reductase Lacking Either Gly-141 or Gly-143 Destabilize Its FMN Semiquinone.
J.Biol.Chem., 291, 2016
4YAY
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BU of 4yay by Molmil
XFEL structure of human Angiotensin Receptor
Descriptor: 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one, Soluble cytochrome b562,Type-1 angiotensin II receptor
Authors:Zhang, H, Unal, H, Gati, C, Han, G.W, Zatsepin, N.A, James, D, Wang, D, Nelson, G, Weierstall, U, Messerschmidt, M, Williams, G.J, Boutet, S, Yefanov, O.M, White, T.A, Liu, W, Ishchenko, A, Tirupula, K.C, Desnoyer, R, Sawaya, M.C, Xu, Q, Coe, J, Cornrad, C.E, Fromme, P, Stevens, R.C, Katritch, V, Karnik, S.S, Cherezov, V, GPCR Network (GPCR)
Deposit date:2015-02-18
Release date:2015-04-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of the Angiotensin receptor revealed by serial femtosecond crystallography.
Cell, 161, 2015
4YBO
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BU of 4ybo by Molmil
Structure of Citrate Synthase from the Thermoacidophilic Euryarchaeon Thermolasma acidophilum
Descriptor: BICARBONATE ION, Citrate synthase
Authors:Murphy, J.R, Donini, S, Kappock, T.J.
Deposit date:2015-02-19
Release date:2015-09-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.179 Å)
Cite:An active site-tail interaction in the structure of hexahistidine-tagged Thermoplasma acidophilum citrate synthase.
Acta Crystallogr F Struct Biol Commun, 71, 2015

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