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4QNA
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BU of 4qna by Molmil
MST3 IN COMPLEX WITH 2-(4,6-Diamino-1,3,5-triazin-2-yl)phenol
Descriptor: 2-(4,6-diamino-1,3,5-triazin-2-yl)phenol, SERINE/THREONINE-PROTEIN KINASE 24
Authors:Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2014-06-17
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4IS8
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BU of 4is8 by Molmil
Divergent sequence tunes ligand sensitivity in phospholipid-regulated hormone receptors
Descriptor: Nuclear receptor subfamily 5 group A member 2
Authors:Musille, P.M, Pathak, M.C, Ortlund, E.A.
Deposit date:2013-01-16
Release date:2013-06-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Divergent Sequence Tunes Ligand Sensitivity in Phospholipid-regulated Hormone Receptors.
J.Biol.Chem., 288, 2013
4QMT
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BU of 4qmt by Molmil
MST3 in complex with HESPERADIN
Descriptor: 1,2-ETHANEDIOL, N-[2-OXO-3-((E)-PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]IMINO}METHYL)-2,6-DIHYDRO-1H-INDOL-5-YL]ETHANESULFONAMIDE, Serine/threonine-protein kinase 24
Authors:Olesen, S.H, Watts, C, Zhu, J.-Y, Schonbrunn, E.
Deposit date:2014-06-16
Release date:2015-07-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Discovery of Diverse Small-Molecule Inhibitors of Mammalian Sterile20-like Kinase 3 (MST3).
Chemmedchem, 11, 2016
4IV6
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BU of 4iv6 by Molmil
X-ray crystal structure of an isovaleryl-CoA dehydrogenase from Mycobacterium smegmatis
Descriptor: Acyl-CoA dehydrogenase FadE3, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-01-22
Release date:2013-03-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4J2M
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BU of 4j2m by Molmil
Molecular Engineering of Organophosphate Hydrolysis Activity from a Weak Promiscuous Lactonase Template
Descriptor: COBALT (II) ION, Phosphotriesterase, putative
Authors:Rajendran, C, Meier, M, Reinhard, S.
Deposit date:2013-02-04
Release date:2013-07-24
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (1.786 Å)
Cite:Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template.
J.Am.Chem.Soc., 135, 2013
4QXV
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BU of 4qxv by Molmil
CRYSTAL STRUCTURE of HUMAN TRANSTHYRETIN IN COMPLEX WITH LUTEOLIN AT 1.1 A RESOLUTION
Descriptor: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, GLYCEROL, SODIUM ION, ...
Authors:Begum, A, Olofsson, A, Sauer-Eriksson, A.E.
Deposit date:2014-07-22
Release date:2015-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:The flavonoid luteolin, but not luteolin-7-o-glucoside, prevents a transthyretin mediated toxic response.
Plos One, 10, 2015
4ISO
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BU of 4iso by Molmil
Crystal Structure of Matriptase in complex with its inhibitor HAI-1
Descriptor: DI(HYDROXYETHYL)ETHER, GLUTATHIONE, GLYCEROL, ...
Authors:Huang, M.D, Zhao, B.Y, Yuan, C, Li, R.
Deposit date:2013-01-16
Release date:2013-03-06
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal structures of matriptase in complex with its inhibitor hepatocyte growth factor activator inhibitor-1.
J.Biol.Chem., 288, 2013
4L1C
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BU of 4l1c by Molmil
Crystal structure of Dimerized N-terminal Domain of MinC
Descriptor: Probable septum site-determining protein MinC
Authors:An, J.Y, Kim, T.G, Park, K.R, Lee, J.G, Youn, H.S, Kang, J.Y, Lee, Y, Kang, G.B, Eom, S.H.
Deposit date:2013-06-03
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal structure of the N-terminal domain of MinC dimerized via domain swapping.
J Synchrotron Radiat, 20, 2013
4J1Y
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BU of 4j1y by Molmil
The X-ray crystal structure of human complement protease C1s zymogen
Descriptor: Complement C1s subcomponent
Authors:Perry, A.J, Wijeyewickrema, L.C, Wilmann, P.G, Gunzburg, M.J, D'Andrea, L, Irving, J.A, Pang, S.S, Duncan, R.C, Wilce, J.A, Whisstock, J.C, Pike, R.N.
Deposit date:2013-02-03
Release date:2013-04-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6645 Å)
Cite:A Molecular Switch Governs the Interaction between the Human Complement Protease C1s and Its Substrate, Complement C4.
J.Biol.Chem., 288, 2013
4L58
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BU of 4l58 by Molmil
Crystal structure of the MLL5 PHD finger in complex with H3K4me3
Descriptor: Histone H3 peptide, Histone-lysine N-methyltransferase MLL5, ZINC ION
Authors:Tong, Q, Ali, M, Kutateladze, T.G.
Deposit date:2013-06-10
Release date:2013-06-26
Last modified:2013-07-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Molecular basis for chromatin binding and regulation of MLL5.
Proc.Natl.Acad.Sci.USA, 110, 2013
4L0D
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BU of 4l0d by Molmil
Crystal structure of delta516-525 human cystathionine beta-synthase containing C-terminal 6xHis-tag
Descriptor: Cystathionine beta-synthase, PROTOPORPHYRIN IX CONTAINING FE, PYRIDOXAL-5'-PHOSPHATE
Authors:Ereno, J, Majtan, T, Oyenarte, I, Kraus, J.P, Martinez-Cruz, L.A.
Deposit date:2013-05-31
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Structural basis of regulation and oligomerization of human cystathionine beta-synthase, the central enzyme of transsulfuration.
Proc.Natl.Acad.Sci.USA, 110, 2013
4J35
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BU of 4j35 by Molmil
Molecular Engineering of Organophosphate Hydrolysis Activity from a Weak Promiscuous Lactonase Template
Descriptor: COBALT (II) ION, Phosphotriesterase, putative
Authors:Sterner, R, Raushel, F, Meier, M, Rajendran, C, Malisi, C, Fox, N, Schlee, S, Barondeau, D, Cker, B.H.
Deposit date:2013-02-05
Release date:2013-07-24
Last modified:2013-09-04
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:Molecular engineering of organophosphate hydrolysis activity from a weak promiscuous lactonase template.
J.Am.Chem.Soc., 135, 2013
4IZ9
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BU of 4iz9 by Molmil
Crystal structure of an acetate kinase from Mycobacterium avium bound to an unknown acid-ApCpp conjugate and manganese
Descriptor: 1,2-ETHANEDIOL, Acetate kinase, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-01-29
Release date:2013-02-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4R5K
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BU of 4r5k by Molmil
Crystal structure of the DnaK C-terminus (Dnak-SBD-B)
Descriptor: CALCIUM ION, Chaperone protein DnaK, SULFATE ION
Authors:Leu, J.I, Zhang, P, Murphy, M.E, Marmorstein, R, George, D.L.
Deposit date:2014-08-21
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.7469 Å)
Cite:Structural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket.
Acs Chem.Biol., 9, 2014
4QRP
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BU of 4qrp by Molmil
Crystal Structure of HLA B*0801 in complex with HSKKKCDEL and DD31 TCR
Descriptor: Beta-2-microglobulin, DD31 TCR alpha chain, DD31 TCR beta chain, ...
Authors:Gras, S, Berry, R, Lucet, I.S, Rossjohn, J.
Deposit date:2014-07-02
Release date:2014-11-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:An Extensive Antigenic Footprint Underpins Immunodominant TCR Adaptability against a Hypervariable Viral Determinant.
J.Immunol., 193, 2014
4IT7
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BU of 4it7 by Molmil
Crystal structure of Al-CPI
Descriptor: CPI
Authors:Mei, G.Q, Liu, S.L, Sun, M.Z, Liu, J.
Deposit date:2013-01-17
Release date:2014-01-29
Last modified:2014-06-11
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for the Immunomodulatory Function of Cysteine Protease Inhibitor from Human Roundworm Ascaris lumbricoides.
Plos One, 9, 2014
4J1G
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BU of 4j1g by Molmil
Leanyer orthobunyavirus nucleoprotein-ssRNA complex
Descriptor: Nucleocapsid, RNA (45-MER)
Authors:Niu, F, Shaw, N, Wang, Y, Jiao, L, Ding, W, Li, X, Zhu, P, Upur, H, Ouyang, S, Cheng, G, Liu, Z.J.
Deposit date:2013-02-01
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.789 Å)
Cite:Structure of the Leanyer orthobunyavirus nucleoprotein-RNA complex reveals unique architecture for RNA encapsidation.
Proc.Natl.Acad.Sci.USA, 110, 2013
6I0N
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BU of 6i0n by Molmil
Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with denuded glycan ended in anhNAM
Descriptor: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolytic peptidoglycan transglycosylase RlpA
Authors:Alcorlo, M, Hermoso, J.A.
Deposit date:2018-10-26
Release date:2019-11-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6TC8
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BU of 6tc8 by Molmil
2'-F-arabinoguanosine and 2'-F-riboguanosine modified hybrid type G-quadruplex with V-loop
Descriptor: DNA (5'-D(*GP*GP*GP*AP*TP*GP*GP*GP*AP*CP*AP*CP*AP*(GFL)P*(GF2)P*GP*GP*AP*CP*GP*GP*G)-3')
Authors:Haase, L, Weisz, K.
Deposit date:2019-11-05
Release date:2020-03-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Switching the type of V-loop in sugar-modified G-quadruplexes through altered fluorine interactions.
Chem.Commun.(Camb.), 56, 2020
4RA0
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BU of 4ra0 by Molmil
An engineered Axl 'decoy receptor' effectively silences the Gas6-Axl signaling axis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Kariolis, M.S, Kapur, S, Mathews, I.I, Cochran, J.R.
Deposit date:2014-09-09
Release date:2014-09-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.07 Å)
Cite:An engineered Axl 'decoy receptor' effectively silences the Gas6-Axl signaling axis.
Nat.Chem.Biol., 10, 2014
4O2D
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BU of 4o2d by Molmil
Crystal structure of aspartyl-tRNA synthetase from Mycobacterium smegmatis with bound aspartic acid
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ASPARTIC ACID, Aspartate--tRNA ligase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-12-17
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4QWN
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BU of 4qwn by Molmil
Histone demethylase KDM2A-H3K36ME1-alpha-KG complex structure
Descriptor: 2-OXOGLUTARIC ACID, Histone H3.2, Lysine-specific demethylase 2A, ...
Authors:Cheng, Z.J, Patel, D.J.
Deposit date:2014-07-16
Release date:2014-11-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A molecular threading mechanism underlies Jumonji lysine demethylase KDM2A regulation of methylated H3K36.
Genes Dev., 28, 2014
4IFI
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BU of 4ifi by Molmil
Structure of human BRCA1 BRCT in complex with BAAT peptide
Descriptor: ACETATE ION, BAAT peptide, Breast cancer type 1 susceptibility protein
Authors:Liu, X, Ladias, J.A.A.
Deposit date:2012-12-14
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural Basis for the BRCA1 BRCT Interaction with the Proteins ATRIP and BAAT1.
Biochemistry, 52, 2013
2YDA
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BU of 2yda by Molmil
Sulfolobus sulfataricus 2-keto-3-deoxygluconate aldolase Y103F,Y130F, A198F variant
Descriptor: 2-KETO-3-DEOXY GLUCONATE ALDOLASE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Crennell, S.J, Royer, S.F, Angelopoulou, M, Hough, D.W, Danson, M.J, Bull, S.D.
Deposit date:2011-03-18
Release date:2012-03-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Sulfolobus Sulfataricus 2-Keto-3-Deoxygluconate Aldolase
To be Published
6HTL
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BU of 6htl by Molmil
Measles Phosphoprotein Coiled-Coil Domain IPKI Variant
Descriptor: CALCIUM ION, Phosphoprotein
Authors:Schramm, A, Longhi, S.
Deposit date:2018-10-04
Release date:2019-06-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Regulation of measles virus gene expression by P protein coiled-coil properties.
Sci Adv, 5, 2019

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