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1YUC
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BU of 1yuc by Molmil
Human Nuclear Receptor Liver Receptor Homologue-1, LRH-1, Bound to Phospholipid and a Fragment of Human SHP
Descriptor: GLYCEROL, L-ALPHA-PHOSPHATIDYL-BETA-OLEOYL-GAMMA-PALMITOYL-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor 0B2, ...
Authors:Ortlund, E.A, Yoonkwang, L, Solomon, I.H, Hager, J.M, Safi, R, Choi, Y, Guan, Z, Tripathy, A, Raetz, C.R.H, McDonnell, D.P, Moore, D.D, Redinbo, M.R.
Deposit date:2005-02-13
Release date:2005-03-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Modulation of human nuclear receptor LRH-1 activity by phospholipids and SHP
Nat.Struct.Mol.Biol., 12, 2005
4HBM
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BU of 4hbm by Molmil
Ordering of the N Terminus of Human MDM2 by Small Molecule Inhibitors
Descriptor: E3 ubiquitin-protein ligase Mdm2, {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-1-[(2S)-1-hydroxybutan-2-yl]-2-oxopiperidin-3-yl}acetic acid
Authors:Huang, X.
Deposit date:2012-09-28
Release date:2012-10-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Ordering of the N-terminus of human MDM2 by small molecule inhibitors.
J.Am.Chem.Soc., 134, 2012
5EXM
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BU of 5exm by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[2-[(1~{S})-1-[[4-(aminomethyl)cyclohexyl]carbonylamino]-2-phenyl-ethyl]pyridin-4-yl]phenyl]carbamate
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, SULFATE ION, ...
Authors:Wei, A.
Deposit date:2015-11-23
Release date:2016-04-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Orally bioavailable pyridine and pyrimidine-based Factor XIa inhibitors: Discovery of the methyl N-phenyl carbamate P2 prime group
Bioorg.Med.Chem., 24, 2016
1M0T
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BU of 1m0t by Molmil
Yeast Glutathione Synthase
Descriptor: SULFATE ION, glutathione synthetase
Authors:Gogos, A, Shapiro, L, Burley, S.K, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2002-06-14
Release date:2002-12-11
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Large Conformational Changes in the Catalytic Cycle of Glutathione Synthase
Structure, 10, 2002
5OO8
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BU of 5oo8 by Molmil
Streptomyces PAC13 (H42Q) with uridine
Descriptor: 1,2-ETHANEDIOL, Putative cupin_2 domain-containing isomerase, URIDINE
Authors:Chung, C, Michailidou, F.
Deposit date:2017-08-06
Release date:2017-08-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins.
Angew. Chem. Int. Ed. Engl., 56, 2017
4QUK
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BU of 4quk by Molmil
Crystal Structure of Cinnamyl-Alcohol Dehydrogenase 2 Mutant K169A
Descriptor: Dihydroflavonol-4-reductase
Authors:Pan, H, Wang, X.
Deposit date:2014-07-10
Release date:2014-10-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Studies of Cinnamoyl-CoA Reductase and Cinnamyl-Alcohol Dehydrogenase, Key Enzymes of Monolignol Biosynthesis.
Plant Cell, 26, 2014
2OBR
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BU of 2obr by Molmil
Crystal Structures of P Domain of Norovirus VA387
Descriptor: Capsid protein
Authors:Cao, S, Lou, Z, Jiang, X, Zhang, X.C, Li, X, Rao, Z.
Deposit date:2006-12-20
Release date:2007-04-24
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the recognition of blood group trisaccharides by norovirus.
J.Virol., 81, 2007
7ZWN
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BU of 7zwn by Molmil
Crystal structure of human BCL6 BTB domain in complex with a WVIP peptide
Descriptor: 1,2-ETHANEDIOL, ALA-TRP-VAL-ILE-PRO-ALA, B-cell lymphoma 6 protein, ...
Authors:Shetty, K, Le Bihan, Y.-V, van Montfort, R.L.M.
Deposit date:2022-05-19
Release date:2022-11-16
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Discovering cell-active BCL6 inhibitors: effectively combining biochemical HTS with multiple biophysical techniques, X-ray crystallography and cell-based assays.
Sci Rep, 12, 2022
3EB5
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BU of 3eb5 by Molmil
Structure of the cIAP2 RING domain
Descriptor: Baculoviral IAP repeat-containing protein 3, SODIUM ION, ZINC ION
Authors:Mace, P.D, Linke, K, Smith, C.A, Day, C.L.
Deposit date:2008-08-27
Release date:2008-09-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of the cIAP2 RING domain reveal conformational changes associated with ubiquitin-conjugating enzyme (E2) recruitment.
J.Biol.Chem., 283, 2008
3ME4
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BU of 3me4 by Molmil
Crystal structure of mouse RANK
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Walter, S.W, Liu, C, Zhu, X, Wu, Y, Owens, R.J, Stuart, D.I, Gao, B, Ren, J.
Deposit date:2010-03-31
Release date:2010-06-02
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and Functional Insights of RANKL-RANK Interaction and Signaling.
J.Immunol., 2010
5OXD
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BU of 5oxd by Molmil
Complex of a C. perfringens O-GlcNAcase with a fragment hit
Descriptor: 5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine, CADMIUM ION, O-GlcNAcase NagJ
Authors:Rafie, K, van Aalten, D.M.F.
Deposit date:2017-09-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:O-GlcNAcase Fragment Discovery with Fluorescence Polarimetry.
ACS Chem. Biol., 13, 2018
5FIV
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BU of 5fiv by Molmil
STRUCTURAL STUDIES OF HIV AND FIV PROTEASES COMPLEXED WITH AN EFFICIENT INHIBITOR OF FIV PR
Descriptor: RETROPEPSIN, benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
Authors:Li, M, Lee, T, Morris, G, Laco, G, Wong, C, Olson, A, Elder, J, Wlodawer, A, Gustchina, A.
Deposit date:1998-12-02
Release date:1998-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural studies of FIV and HIV-1 proteases complexed with an efficient inhibitor of FIV protease
Proteins, 38, 2000
2VPQ
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BU of 2vpq by Molmil
Crystal structure of biotin carboxylase from S. aureus complexed with AMPPNP
Descriptor: ACETYL-COA CARBOXYLASE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Mochalkin, I.
Deposit date:2008-03-03
Release date:2008-09-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Evidence for Substrate-Induced Synergism and Half-Sites Reactivity in Biotin Carboxylase.
Protein Sci., 17, 2008
7ZW9
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BU of 7zw9 by Molmil
Crystal structure of a gamma-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei
Descriptor: BETA-MERCAPTOETHANOL, Bacterial transferase hexapeptide family protein, ZINC ION
Authors:Di Fiore, A, De Simone, G.
Deposit date:2022-05-19
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical, structural, and computational studies of a gamma-carbonic anhydrase from the pathogenic bacterium Burkholderia pseudomallei.
Comput Struct Biotechnol J, 20, 2022
6DR6
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BU of 6dr6 by Molmil
X-ray crystallographic structure of a covalent trimer derived from A-beta 17_36 containing the F20Cha point mutation
Descriptor: ORT-CYS-VAL-PHE-XXX-CYS-GLU-ASP-ORT-ALA-ILE-ILE-GLY-LEU-ORA-VAL
Authors:Salveson, P.J, Nowick, J.S.
Deposit date:2018-06-11
Release date:2018-10-17
Last modified:2025-04-02
Method:X-RAY DIFFRACTION (2.608 Å)
Cite:Repurposing Triphenylmethane Dyes to Bind to Trimers Derived from A beta.
J. Am. Chem. Soc., 140, 2018
8CUK
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BU of 8cuk by Molmil
X-ray Structure of the WD40 domain of HOPS subunit Vps11 from Yeast
Descriptor: E3 ubiquitin-protein ligase PEP5
Authors:Port, S.A, Baker, R.W, Jeffrey, P.D, Hughson, F.M.
Deposit date:2022-05-17
Release date:2022-05-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:X-ray Structure of the WD40 domain of HOPS subunit Vps11 from Yeast
to be published
6GJB
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BU of 6gjb by Molmil
Erk2 signalling protein
Descriptor: Mitogen-activated protein kinase 1, SULFATE ION, [(1~{R},4~{Z})-cyclooct-4-en-1-yl] ~{N}-[4-[4-[[4-[1-[(1~{S})-1-(4-chloranyl-3-fluoranyl-phenyl)-2-oxidanyl-ethyl]-2-oxidanylidene-pyridin-4-yl]pyrimidin-2-yl]amino]pyridin-2-yl]but-3-ynyl]carbamate
Authors:O'Reilly, M.
Deposit date:2018-05-16
Release date:2019-01-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Quantitation of ERK1/2 inhibitor cellular target occupancies with a reversible slow off-rate probe.
Chem Sci, 9, 2018
3B9A
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BU of 3b9a by Molmil
Crystal structure of Vibrio harveyi chitinase A complexed with hexasaccharide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase A
Authors:Songsiriritthigul, C, Pantoom, S, Aguda, A.H, Robinson, R.C, Suginta, W.
Deposit date:2007-11-03
Release date:2008-04-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of Vibrio harveyi chitinase A complexed with chitooligosaccharides: implications for the catalytic mechanism
J.Struct.Biol., 162, 2008
6AJ5
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BU of 6aj5 by Molmil
Crystal structure of ligand-free type DHODH from Eimeria tenella
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Shiba, T, Inaoka, D.K, Sato, D, Hartuti, E.D, Amalia, E, Nagahama, M, Yoshioka, Y, Matsubayashi, M, Balogun, E.O, Tsuji, N, Kita, K, Harada, S.
Deposit date:2018-08-27
Release date:2019-08-28
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural and Biochemical Features of Eimeria tenella Dihydroorotate Dehydrogenase, a Potential Drug Target.
Genes (Basel), 11, 2020
4M7H
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BU of 4m7h by Molmil
Crystal structure of tetrameric fibrinogen-like recognition domain of FIBCD1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, CALCIUM ION, ...
Authors:Shrive, A.K, Greenhough, T.J, Holmskov, U.
Deposit date:2013-08-12
Release date:2013-12-11
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of the Tetrameric Fibrinogen-like Recognition Domain of Fibrinogen C Domain Containing 1 (FIBCD1) Protein.
J.Biol.Chem., 289, 2014
3T4L
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BU of 3t4l by Molmil
Arabidopsis histidine kinase 4 sensor domain in complex with trans-zeatin
Descriptor: (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol, Histidine kinase 4, MALONATE ION
Authors:Hothorn, M.
Deposit date:2011-07-26
Release date:2011-10-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structural basis for cytokinin recognition by Arabidopsis thaliana histidine kinase 4.
Nat.Chem.Biol., 7, 2011
3T4J
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BU of 3t4j by Molmil
Arabidopsis histidine kinase 4 sensor domain in complex with N-isopentenyl adenine
Descriptor: Histidine kinase 4, MALONATE ION, N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE
Authors:Hothorn, M.
Deposit date:2011-07-26
Release date:2011-10-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for cytokinin recognition by Arabidopsis thaliana histidine kinase 4.
Nat.Chem.Biol., 7, 2011
5FPI
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BU of 5fpi by Molmil
Mu2 adaptin subunit of the AP2 adaptor (C-terminal domain) complexed with Integrin alpha4 internalisation peptide QYKSILQE
Descriptor: AP-2 COMPLEX SUBUNIT MU, INTEGRIN ALPHA-4 SUBUNIT
Authors:Owen, D.J, Evans, P.R, Ivaska, J.
Deposit date:2015-11-30
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Selective Integrin Endocytosis is Driven by Alpha Chain:Ap2 Interactions
Nat.Struct.Mol.Biol., 23, 2016
5UU7
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BU of 5uu7 by Molmil
Tetragonal thermolysin (295 K) in the presence of 50% mpd
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ...
Authors:Juers, D.H.
Deposit date:2017-02-16
Release date:2017-03-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.60001385 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
5UUE
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BU of 5uue by Molmil
Tetragonal thermolysin cryocooled to 100 K with 50% methanol as cryoprotectant
Descriptor: CALCIUM ION, CHLORIDE ION, METHANOL, ...
Authors:Juers, D.H.
Deposit date:2017-02-16
Release date:2017-03-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6000011 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018

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數據於2025-07-09公開中

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