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4WFE
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BU of 4wfe by Molmil
Human TRAAK K+ channel in a K+ bound conductive 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
4WFG
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BU of 4wfg by Molmil
Human TRAAK K+ channel in a Tl+ bound conductive 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 (3 Å)
Cite:Physical mechanism for gating and mechanosensitivity of the human TRAAK K+ channel.
Nature, 516, 2014
4WJX
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BU of 4wjx by Molmil
Crystal structure of human chitotriosidase-1 catalytic domain at 1.0 A resolution
Descriptor: Chitotriosidase-1, L(+)-TARTARIC ACID
Authors:Fadel, F, Zhao, Y, Cachau, R, Cousido-Siah, A, Ruiz, F.X, Harlos, K, Howard, E, Mitschler, A, Podjarny, A.
Deposit date:2014-10-01
Release date:2015-07-08
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1 Å)
Cite:New insights into the enzymatic mechanism of human chitotriosidase (CHIT1) catalytic domain by atomic resolution X-ray diffraction and hybrid QM/MM
Acta Crystallogr.,Sect.D, 71, 2015
4ONC
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BU of 4onc by Molmil
Crystal Structure of Mycobacterium Tuberculosis Decaprenyl Diphosphate Synthase in Complex with BPH-640
Descriptor: Decaprenyl diphosphate synthase, [hydroxy(1,1':3',1''-terphenyl-3-yl)methanediyl]bis(phosphonic acid)
Authors:Feng, X, Chan, H.C, Ko, T.P.
Deposit date:2014-01-28
Release date:2014-04-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structure and Inhibition of Tuberculosinol Synthase and Decaprenyl Diphosphate Synthase from Mycobacterium tuberculosis
J.Am.Chem.Soc., 136, 2014
4WIB
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BU of 4wib by Molmil
Crystal structure of Magnesium transporter MgtE
Descriptor: CALCIUM ION, Magnesium transporter MgtE
Authors:Takeda, H, Hattori, M, Nishizawa, T, Yamashita, K, Shah, S.T.A, Caffrey, M, Maturana, A.D, Ishitani, R, Nureki, O.
Deposit date:2014-09-25
Release date:2014-12-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for ion selectivity revealed by high-resolution crystal structure of Mg(2+) channel MgtE
Nat Commun, 5, 2014
4WFA
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BU of 4wfa by Molmil
The crystal structure of the large ribosomal subunit of Staphylococcus aureus in complex with linezolid
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 23S rRNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Eyal, Z, Matzov, D, Krupkin, M, Wekselman, I, Zimmerman, E, Rozenberg, H, Bashan, A, Yonath, A.E.
Deposit date:2014-09-14
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.392 Å)
Cite:Structural insights into species-specific features of the ribosome from the pathogen Staphylococcus aureus.
Proc.Natl.Acad.Sci.USA, 112, 2015
4OR5
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BU of 4or5 by Molmil
Crystal structure of HIV-1 Tat complexed with human P-TEFb and AFF4
Descriptor: AF4/FMR2 family member 4, Cyclin-T1, Cyclin-dependent kinase 9, ...
Authors:Gu, J, Babayeva, N.D, Suwa, Y, Baranovskiy, A.G, Price, D.H, Tahirov, T.H.
Deposit date:2014-02-10
Release date:2014-04-16
Last modified:2014-06-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of HIV-1 Tat complexed with human P-TEFb and AFF4.
Cell Cycle, 13, 2014
4OU3
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BU of 4ou3 by Molmil
Crystal structure of porcine aminopeptidase N complexed with CNGRCG tumor-homing peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Aminopeptidase N, ...
Authors:Liu, C, Yang, Y, Chen, L, Lin, Y.-L, Li, F.
Deposit date:2014-02-14
Release date:2014-11-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Unified Mechanism for Aminopeptidase N-based Tumor Cell Motility and Tumor-homing Therapy.
J.Biol.Chem., 289, 2014
4WJG
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BU of 4wjg by Molmil
Structure of T. brucei haptoglobin-hemoglobin receptor binding to human haptoglobin-hemoglobin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Haptoglobin, ...
Authors:Stoedkilde, K, Torvund-Jensen, M, Moestrup, S.K, Andersen, C.B.F.
Deposit date:2014-09-30
Release date:2014-11-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for trypanosomal haem acquisition and susceptibility to the host innate immune system.
Nat Commun, 5, 2014
4OV0
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BU of 4ov0 by Molmil
Structure of Bacteriorhdopsin Transferred from Amphipol A8-35 to a Lipidic Mesophase
Descriptor: Bacteriorhodopsin, RETINAL
Authors:Polovinkin, V, Gushchin, I, Sintsov, M, Round, E, Balandin, T, Chervakov, P, Schevchenko, V, Utrobin, P, Popov, A, Borshchevskiy, V, Mishin, A, Kuklin, A, Willbold, D, Popot, J.L, Gordeliy, V.
Deposit date:2014-02-19
Release date:2014-10-01
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structure of a membrane protein transferred from amphipol to a lipidic mesophase.
J.Membr.Biol., 247, 2014
4OBX
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BU of 4obx by Molmil
Crystal structure of yeast Coq5 in the apo form
Descriptor: 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, TRIS(HYDROXYETHYL)AMINOMETHANE
Authors:Dai, Y.N, Zhou, K, Cao, D.D, Jiang, Y.L, Meng, F, Chi, C.B, Ren, Y.M, Chen, Y.X, Zhou, C.Z.
Deposit date:2014-01-07
Release date:2014-08-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4WYE
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BU of 4wye by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis complexed with a DSF fragment hit
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETONE, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
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 (1.75 Å)
Cite:Fragment-Based Exploration of Binding Site Flexibility in Mycobacterium tuberculosis BioA.
J.Med.Chem., 58, 2015
4OOZ
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BU of 4ooz by Molmil
Crystal structure of beta-1,4-D-mannanase from Cryptopygus antarcticus in complex with mannopentaose
Descriptor: Beta-1,4-mannanase, beta-D-mannopyranose, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-beta-D-mannopyranose, ...
Authors:Kim, M.-K, An, Y.J, Jeong, C.-S, Cha, S.-S.
Deposit date:2014-02-04
Release date:2014-08-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure-based investigation into the functional roles of the extended loop and substrate-recognition sites in an endo-beta-1,4-d-mannanase from the Antarctic springtail, Cryptopygus antarcticus.
Proteins, 82, 2014
4X31
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BU of 4x31 by Molmil
Room temperature structure of bacteriorhodopsin from lipidic cubic phase obtained with serial millisecond crystallography using synchrotron radiation
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Nogly, P, James, D, Wang, D, White, T, Zatsepin, N, Shilova, A, Nelson, G, Liu, H, Johansson, L, Heymann, M, Jaeger, K, Metz, M, Wickstrand, C, Wu, W, Baath, P, Berntsen, P, Oberthuer, D, Panneels, V, Cherezov, V, Chapman, H, Spence, J, Schertler, G, Neutze, R, Moraes, I, Burghammer, M, Standfuss, J, Weierstall, U.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Lipidic cubic phase serial millisecond crystallography using synchrotron radiation.
Iucrj, 2, 2015
4X32
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BU of 4x32 by Molmil
Bacteriorhodopsin ground state structure collected in cryo conditions from crystals obtained in LCP with PEG as a precipitant.
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, Bacteriorhodopsin, RETINAL
Authors:Nogly, P, Standfuss, J.
Deposit date:2014-11-27
Release date:2015-02-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Lipidic cubic phase serial millisecond crystallography using synchrotron radiation.
Iucrj, 2, 2015
4OWF
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BU of 4owf by Molmil
Crystal structure of the NEMO CoZi in complex with HOIP NZF1 domain
Descriptor: E3 ubiquitin-protein ligase RNF31, NF-kappa-B essential modulator, ZINC ION
Authors:Rahighi, S, Fujita, H, Kawasaki, M, Kato, R, Iwai, K, Wakatsuki, S.
Deposit date:2014-01-31
Release date:2014-02-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism Underlying I kappa B Kinase Activation Mediated by the Linear Ubiquitin Chain Assembly Complex.
Mol.Cell.Biol., 34, 2014
4X5W
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BU of 4x5w by Molmil
HLA-DR1 with CLIP102-120(M107W)
Descriptor: HLA class II histocompatibility antigen gamma chain, HLA class II histocompatibility antigen, DR alpha chain, ...
Authors:Guenther, S, Freund, C.
Deposit date:2014-12-06
Release date:2016-03-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:MHC class II complexes sample intermediate states along the peptide exchange pathway.
Nat Commun, 7, 2016
4XEM
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BU of 4xem by Molmil
Crystal Structure of wild type human AlaRS catalytic domain
Descriptor: '5'-O-(N-(L-ALANYL)-SULFAMOYL)ADENOSINE, 1,2-ETHANEDIOL, Alanine--tRNA ligase, ...
Authors:Zhou, H, He, W, Yang, X.L.
Deposit date:2014-12-24
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.278 Å)
Cite:Crystal structure of wild type human AlaRS catalytic domain
To Be Published
4OBW
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BU of 4obw by Molmil
crystal structure of yeast Coq5 in the SAM bound form
Descriptor: 2-methoxy-6-polyprenyl-1,4-benzoquinol methylase, mitochondrial, S-ADENOSYLMETHIONINE, ...
Authors:Dai, Y.N, Zhou, K, Cao, D.D, Jiang, Y.L, Meng, F, Chi, C.B, Ren, Y.M, Chen, Y.X, Zhou, C.Z.
Deposit date:2014-01-07
Release date:2014-08-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures and catalytic mechanism of the C-methyltransferase Coq5 provide insights into a key step of the yeast coenzyme Q synthesis pathway.
Acta Crystallogr.,Sect.D, 70, 2014
4OEM
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BU of 4oem by Molmil
Crystal structure of Cathepsin C in complex with dipeptide substrates
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Zhao, B, Smallwood, A, Concha, N.
Deposit date:2014-01-13
Release date:2015-03-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:The amino-acid substituents of dipeptide substrates of cathepsin C can determine the rate-limiting steps of catalysis.
Biochemistry, 51, 2012
4OBS
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BU of 4obs by Molmil
Crystal structure of human alpha-L-iduronidase in the P212121 form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, CHLORIDE ION, ...
Authors:Bie, H, Yin, J, He, X, Kermode, A.R, James, M.N.G.
Deposit date:2014-01-07
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of human alpha-L-iduronidase in the P212121 form
To be Published
4XLS
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BU of 4xls by Molmil
Crystal structure of T. aquaticus transcription initiation complex with CarD containing upstream fork promoter.
Descriptor: CarD-like transcriptional regulator, DNA (30-MER), DNA (5'-D(P*GP*CP*AP*CP*AP*AP*TP*TP*TP*AP*AP*CP*AP*CP*TP*TP*TP*TP*GP*TP*CP*AP*AP*G)-3'), ...
Authors:Bae, B, Darst, S.A.
Deposit date:2015-01-13
Release date:2015-09-23
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:CarD uses a minor groove wedge mechanism to stabilize the RNA polymerase open promoter complex.
Elife, 4, 2015
4Y20
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BU of 4y20 by Molmil
Complex of human Galectin-1 and NeuAcalpha2-3Galbeta1-4Glc
Descriptor: Galectin-1, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
4XJO
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BU of 4xjo by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with an inhibitor optimized from HTS lead
Descriptor: 1,2-ETHANEDIOL, 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, ...
Authors:Finzel, B.C, Dai, R.
Deposit date:2015-01-08
Release date:2016-01-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure-Based Optimization of Pyridoxal 5'-Phosphate-Dependent Transaminase Enzyme (BioA) Inhibitors that Target Biotin Biosynthesis in Mycobacterium tuberculosis.
J. Med. Chem., 60, 2017
4XBL
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BU of 4xbl by Molmil
Crystal Structure of Human Galectin-1 in Complex with Type 1 N-acetyllactosamine
Descriptor: Galectin-1, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Hsieh, T.J, Lin, H.Y, Lin, C.H.
Deposit date:2014-12-17
Release date:2015-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.931 Å)
Cite:Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015

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