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1WT2
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BU of 1wt2 by Molmil
Mutant human ABO(H) blood group glycosyltransferase A with bound UDP and inhibitor
Descriptor: Histo-blood group ABO system transferase, MERCURY (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Lee, H.J, Barry, C.H, Borisova, S.N, Seto, N.O.L, Zheng, R.B, Blancher, A, Evans, S.V, Palcic, M.M.
Deposit date:2004-11-12
Release date:2004-12-07
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the inactivity of human blood group o2 glycosyltransferase
J.Biol.Chem., 280, 2005
8ELG
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BU of 8elg by Molmil
Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANAF from OC43 virus
Descriptor: ACETATE ION, Beta-2-microglobulin, NQK-OC43 peptide, ...
Authors:Murdolo, L.D, Gras, S.
Deposit date:2022-09-24
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A common allele of HLA is associated with asymptomatic SARS-CoV-2 infection.
Nature, 620, 2023
7NHF
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BU of 7nhf by Molmil
Crystal structure of Arabidopsis thaliana Pdx1K166R
Descriptor: PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3
Authors:Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I.
Deposit date:2021-02-10
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
7NHE
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BU of 7nhe by Molmil
Crystal structure of Arabidopsis thaliana Pdx1K166R-I333 complex
Descriptor: PHOSPHATE ION, Pyridoxal 5'-phosphate synthase subunit PDX1.3, [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate
Authors:Rodrigues, M.J, Zhang, Y, Bolton, R, Evans, G, Giri, N, Royant, A, Begley, T, Ealick, S.E, Tews, I.
Deposit date:2021-02-10
Release date:2021-12-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Trapping and structural characterisation of a covalent intermediate in vitamin B 6 biosynthesis catalysed by the Pdx1 PLP synthase.
Rsc Chem Biol, 3, 2022
4UBN
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BU of 4ubn by Molmil
KINETIC CRYSTALLOGRAPHY OF ALPHA_E7-CARBOXYLESTERSE FROM LUCILLA CUPRINA - ABSORBED X-RAY DOSE 1.85 MGy TEMP 150K
Descriptor: DIETHYL HYDROGEN PHOSPHATE, E3
Authors:Jackson, C.J, Carr, P.D, Weik, M, Huber, T, Meirelles, T, Correy, G.
Deposit date:2014-08-13
Release date:2015-08-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Mapping the Accessible Conformational Landscape of an Insect Carboxylesterase Using Conformational Ensemble Analysis and Kinetic Crystallography
Structure, 24, 2016
7N41
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BU of 7n41 by Molmil
Crystal structure of TagA with UDP-ManNAc
Descriptor: (2R,3S,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name), N-acetylglucosaminyldiphosphoundecaprenol N-acetyl-beta-D-mannosaminyltransferase
Authors:Martinez, O.E, Cascio, D, Clubb, R.T.
Deposit date:2021-06-03
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Insight into the molecular basis of substrate recognition by the wall teichoic acid glycosyltransferase TagA.
J.Biol.Chem., 298, 2021
7N9K
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BU of 7n9k by Molmil
KirBac3.1 L124M mutant
Descriptor: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Inward rectifier potassium channel Kirbac3.1, N-OCTANE, ...
Authors:Black, T.A, Gulbis, J.M.
Deposit date:2021-06-18
Release date:2021-12-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Ion currents through Kir potassium channels are gated by anionic lipids.
Nat Commun, 13, 2022
4U9B
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BU of 4u9b by Molmil
Crystal structure of an H-NOX protein from S. oneidensis in the Fe(II)NO ligation state
Descriptor: GLYCEROL, NITRIC OXIDE, NO-binding heme-dependent sensor protein, ...
Authors:Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A.
Deposit date:2014-08-05
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
7ZEU
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BU of 7zeu by Molmil
Crystal structure of human Clusterin, crystal form II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Clusterin
Authors:Yuste-Checa, P, Bracher, A, Hartl, F.U.
Deposit date:2022-03-31
Release date:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Crystal structure of human Clusterin, crystal form II
To be published
7NK0
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BU of 7nk0 by Molmil
Structure of the BIR1 domain of cIAP2
Descriptor: Baculoviral IAP repeat-containing protein 3, ZINC ION
Authors:Cossu, F, Milani, M, Mastrangelo, E, Mirdita, D.
Deposit date:2021-02-17
Release date:2022-01-12
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure-based identification of a new IAP-targeting compound that induces cancer cell death inducing NF-kappa B pathway.
Comput Struct Biotechnol J, 19, 2021
4UA1
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BU of 4ua1 by Molmil
Crystal structure of dual function transcriptional regulator MerR form Bacillus megaterium MB1 in complex with mercury (II) ion
Descriptor: MERCURY (II) ION, Regulatory protein
Authors:Chang, C.C, Lin, L.Y, Zou, X.W, Huang, C.C, Chan, N.L.
Deposit date:2014-08-07
Release date:2015-07-22
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Structural basis of the mercury(II)-mediated conformational switching of the dual-function transcriptional regulator MerR
Nucleic Acids Res., 43, 2015
4UF8
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BU of 4uf8 by Molmil
Electron cryo-microscopy structure of PB1-p62 filaments
Descriptor: SEQUESTOSOME-1
Authors:Ciuffa, R, Lamark, T, Tarafder, A, Guesdon, A, Rybina, S, Hagen, W.J.H, Johansen, T, Sachse, C.
Deposit date:2015-03-15
Release date:2015-05-13
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (10.9 Å)
Cite:The Selective Autophagy Receptor P62 Forms a Flexible Filamentous Helical Scaffold.
Cell Rep., 11, 2015
1A98
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BU of 1a98 by Molmil
XPRTASE FROM E. COLI COMPLEXED WITH GMP
Descriptor: XANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE
Authors:Vos, S, Parry, R.J, Burns, M.R, De Jersey, J, Martin, J.L.
Deposit date:1998-04-16
Release date:1998-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structures of free and complexed forms of Escherichia coli xanthine-guanine phosphoribosyltransferase.
J.Mol.Biol., 282, 1998
7MWV
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BU of 7mwv by Molmil
Structure of the E. coli PutA proline dehydrogenase domain (residues 86-630) complexed with cyclopropanecarboxylic acid
Descriptor: Bifunctional protein PutA, FLAVIN-ADENINE DINUCLEOTIDE, PENTAETHYLENE GLYCOL, ...
Authors:Tanner, J.J, Bogner, A.N.
Deposit date:2021-05-17
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Structure-affinity relationships of reversible proline analog inhibitors targeting proline dehydrogenase.
Org.Biomol.Chem., 20, 2022
4UBR
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BU of 4ubr by Molmil
Crystal structure of Pseudomonas aeruginosa N-aetyltransferase PA4534
Descriptor: GLYCEROL, Putative acetyltransferase
Authors:Choe, J, Shin, S.
Deposit date:2014-08-13
Release date:2015-08-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of Pseudomonas aeruginosa N-aetyltransferase PA4534
To Be Published
4UDE
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BU of 4ude by Molmil
An oligomerization domain confers pioneer properties to the LEAFY master floral regulator
Descriptor: GINLFY PROTEIN, GLYCEROL, TETRAETHYLENE GLYCOL
Authors:Nanao, M.H, Sayou, C, Dumas, R, Parcy, F.
Deposit date:2014-12-10
Release date:2016-03-02
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A Sam Oligomerization Domain Shapes the Genomic Binding Landscape of the Leafy Transcription Factor
Nat.Commun., 7, 2016
3HIG
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BU of 3hig by Molmil
Crystal structure of human diamine oxidase in complex with the inhibitor berenil
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Amiloride-sensitive amine oxidase, BERENIL, ...
Authors:McGrath, A.P, Guss, J.M.
Deposit date:2009-05-19
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Structure and inhibition of human diamine oxidase
Biochemistry, 48, 2009
4UAG
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BU of 4uag by Molmil
UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE
Descriptor: SULFATE ION, UDP-N-ACETYLMURAMOYL-L-ALANINE:D-GLUTAMATE LIGASE, UNKNOWN ATOM OR ION, ...
Authors:Bertrand, J, Auger, G, Martin, L, Fanchon, E, Blanot, D, Le Beller, D, Van Heijenoort, J, Dideberg, O.
Deposit date:1999-03-09
Release date:2000-03-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Determination of the MurD mechanism through crystallographic analysis of enzyme complexes.
J.Mol.Biol., 289, 1999
4UAK
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BU of 4uak by Molmil
MRCK beta in complex with ADP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Schuettelkopf, A.W.
Deposit date:2014-08-10
Release date:2014-10-22
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A novel small-molecule MRCK inhibitor blocks cancer cell invasion.
Cell Commun. Signal, 12, 2014
4UGF
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BU of 4ugf by Molmil
Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl) pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-((((3S, 5R)-5-(((6-amino-4-methylpyridin-2-yl)methoxy)methyl)pyrrolidin-3-yl)oxy)methyl)-4-methylpyridin-2-amine, ...
Authors:Holden, J.K, Poulos, T.L.
Deposit date:2015-03-22
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Biochemistry, 54, 2015
7NGJ
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BU of 7ngj by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
7NGO
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BU of 7ngo by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: HTH-type transcriptional regulator EthR, ~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
4UBF
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BU of 4ubf by Molmil
HsMCAK motor domain complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF2C, MAGNESIUM ION
Authors:Welburn, J.P.I, Talapatra, S.K.
Deposit date:2014-08-12
Release date:2015-05-06
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:The C-terminal region of the motor protein MCAK controls its structure and activity through a conformational switch.
Elife, 4, 2015
7NGD
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BU of 7ngd by Molmil
Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound
Descriptor: 4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide, HTH-type transcriptional regulator EthR
Authors:Tomlinson, C.W.E, Tatum, N.J, Pohl, E.
Deposit date:2021-02-09
Release date:2022-02-23
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization
To Be Published
4UC2
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BU of 4uc2 by Molmil
Crystal structure of translocator protein 18kDa (TSPO) from rhodobacter sphaeroides (A139T mutant) in P212121 space group
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, TETRAETHYLENE GLYCOL, TRANSLOCATOR PROTEIN TSPO
Authors:Li, F, Liu, J, Zheng, Y, Garavito, R.M, Ferguson-Miller, S.
Deposit date:2014-08-13
Release date:2015-02-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structures of translocator protein (TSPO) and mutant mimic of a human polymorphism.
Science, 347, 2015

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