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5HJP
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BU of 5hjp by Molmil
Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease
Descriptor: 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ...
Authors:Parthasarathy, G, Klein, D.
Deposit date:2016-01-13
Release date:2016-04-06
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
6D5P
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BU of 6d5p by Molmil
Hexagonal thermolysin cryocooled to 100 K with 20% xylose as cryoprotectant
Descriptor: CALCIUM ION, LYSINE, Thermolysin, ...
Authors:Juers, D.H.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (3.00010872 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D6G
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BU of 6d6g by Molmil
Triclinic lysozyme (295 K) in the presence of 47% MPD
Descriptor: Lysozyme C, NITRATE ION
Authors:Juers, D.H.
Deposit date:2018-04-20
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D6E
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BU of 6d6e by Molmil
Triclinic lysozyme (295 K) in the presence of 47% xylose
Descriptor: Lysozyme C, NITRATE ION
Authors:Juers, D.H.
Deposit date:2018-04-20
Release date:2018-09-19
Last modified:2020-01-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D5O
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BU of 6d5o by Molmil
Hexagonal thermolysin (295 K) in the presence of 50% DMF
Descriptor: CALCIUM ION, DIMETHYLFORMAMIDE, LYSINE, ...
Authors:Juers, D.H.
Deposit date:2018-04-19
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.00005221 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D6F
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BU of 6d6f by Molmil
Triclinic lysozyme cryocooled to 100 K with 47% xylose as cryoprotectant
Descriptor: Lysozyme C, NITRATE ION, alpha-D-xylopyranose
Authors:Juers, D.H.
Deposit date:2018-04-20
Release date:2018-09-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order.
Acta Crystallogr D Struct Biol, 74, 2018
6D88
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BU of 6d88 by Molmil
Tubulin-RB3_SLD-TTL in complex with compound 13f
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Kumar, G, Wang, Y, Li, W, White, S.W.
Deposit date:2018-04-26
Release date:2018-09-12
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.853 Å)
Cite:Structural Modification of the 3,4,5-Trimethoxyphenyl Moiety in the Tubulin Inhibitor VERU-111 Leads to Improved Antiproliferative Activities.
J. Med. Chem., 61, 2018
8DIQ
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BU of 8diq by Molmil
Tubulin-RB3_SLD-TTL in complex with SB226
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[2-(ethylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]-7-methoxy-3,4-dihydroquinoxalin-2(1H)-one, CALCIUM ION, ...
Authors:White, S.W, Yun, M.
Deposit date:2022-06-29
Release date:2023-01-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:SB226, an inhibitor of tubulin polymerization, inhibits paclitaxel-resistant melanoma growth and spontaneous metastasis.
Cancer Lett., 555, 2022
3GXA
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BU of 3gxa by Molmil
Crystal structure of GNA1946
Descriptor: METHIONINE, Outer membrane lipoprotein GNA1946, SULFATE ION
Authors:Yang, X, Shen, Y.
Deposit date:2009-04-02
Release date:2009-10-13
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Crystal structure of lipoprotein GNA1946 from Neisseria meningitidis
J.Struct.Biol., 168, 2009
6IDX
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BU of 6idx by Molmil
Crystal Structure of BAI1/ELMO2 complex
Descriptor: Adhesion G protein-coupled receptor B1, Engulfment and cell motility protein 2
Authors:Weng, Z.F, Lin, L, Zhu, J.W, Zhang, R.G.
Deposit date:2018-09-11
Release date:2019-01-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.699 Å)
Cite:Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds
Nat Commun, 10, 2019
3HJ2
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BU of 3hj2 by Molmil
Crystal structure of covalent dimer of HNP1
Descriptor: HUMAN NEUTROPHIL PEPTIDE 1
Authors:Lubkowski, J, Pazgier, M, Lu, W.
Deposit date:2009-05-20
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:What Dictates the Multifaced Functions of the Human alpha-Defensin HNP1?
To be Published
6IE1
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BU of 6ie1 by Molmil
Crystal Structure of ELMO2(Engulfment and cell motility protein 2)
Descriptor: Engulfment and cell motility protein 2, GLYCEROL
Authors:Weng, Z.F, Lin, L, Zhang, R.G, Zhu, J.W.
Deposit date:2018-09-12
Release date:2019-01-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds
Nat Commun, 10, 2019
3HJD
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BU of 3hjd by Molmil
X-ray structure of monomeric variant of HNP1
Descriptor: Human neutrophil peptide 1
Authors:Lubkowski, J, Pazgier, M, Lu, W.
Deposit date:2009-05-21
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:What Dictates the Multifaced Functions of the Human alpha-Defensin HNP?
To be Published
3B68
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BU of 3b68 by Molmil
Crystal structure of the androgen receptor ligand binding domain in complex with SARM S-4
Descriptor: (2S)-3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide, Androgen receptor
Authors:Bohl, C.E, Miller, D.D, Dalton, J.T.
Deposit date:2007-10-27
Release date:2008-09-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Effect of B-ring substitution pattern on binding mode of propionamide selective androgen receptor modulators
Bioorg.Med.Chem.Lett., 18, 2008
5XGV
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BU of 5xgv by Molmil
The structure of Diels-Alderase PyrE3 in the biosynthetic pathway of pyrroindomycins
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, PyrE3
Authors:Pan, L, Gong, Y, Guo, Y.
Deposit date:2017-04-18
Release date:2018-04-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:Structural Insights into a Flavin-Dependent [4 + 2] Cyclase that Catalyzes trans-Decalin Formation in Pyrroindomycin Biosynthesis.
Cell Chem Biol, 25, 2018
4YNB
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BU of 4ynb by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with pyrazinylthio-DADMe-Immucillin-A
Descriptor: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(pyrazin-2-ylsulfanyl)methyl]pyrrolidin-3-ol, Aminodeoxyfutalosine nucleosidase, DI(HYDROXYETHYL)ETHER, ...
Authors:Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
Deposit date:2015-03-09
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
3V6O
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BU of 3v6o by Molmil
Leptin Receptor-antibody complex
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Carpenter, B, Hemsworth, G.R, Ross, R.J, Artymiuk, P.J.
Deposit date:2011-12-20
Release date:2012-03-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure of the human obesity receptor leptin-binding domain reveals the mechanism of leptin antagonism by a monoclonal antibody.
Structure, 20, 2012
5EAK
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BU of 5eak by Molmil
Optimization of Microtubule Affinity Regulating Kinase (MARK) Inhibitors with Improved Physical Properties
Descriptor: N-[(1S,2R)-2-aminocyclohexyl]-4-[6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide, Serine/threonine-protein kinase MARK2
Authors:Su, H.P.
Deposit date:2015-10-16
Release date:2016-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Optimization of microtubule affinity regulating kinase (MARK) inhibitors with improved physical properties.
Bioorg.Med.Chem.Lett., 26, 2016
3VG0
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BU of 3vg0 by Molmil
Antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Monoclonal antibody 9F8 Fab fragment H chain, ...
Authors:Carpenter, B, Hemsworth, G.R, Ross, R.J, Artymiuk, P.J.
Deposit date:2012-01-10
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structure of the human obesity receptor leptin-binding domain reveals the mechanism of leptin antagonism by a monoclonal antibody.
Structure, 20, 2012
3ZNR
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BU of 3znr by Molmil
HDAC7 bound with inhibitor TMP269
Descriptor: HISTONE DEACETYLASE 7, N-{[4-(4-phenyl-1,3-thiazol-2-yl)tetrahydro-2H-pyran-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
Authors:Lobera, m, madauss, k, pohlhaus, d, trump, r, nolan, m.
Deposit date:2013-02-15
Release date:2013-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
7FCP
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BU of 7fcp by Molmil
Crystallographic structure of two neutralizing antibodies in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Zheng, P, Jin, T.
Deposit date:2021-07-15
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
7FCQ
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BU of 7fcq by Molmil
Crystallographic structure of neutralizing antibody P14-44 in complex with SARS-CoV-2 spike receptor-binding Domain (RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, P14-44 antibody Fab fragment heavy chain, ...
Authors:Zheng, P, Jin, T.
Deposit date:2021-07-15
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Ultrapotent neutralizing antibodies against SARS-CoV-2 with a high degree of mutation resistance.
J.Clin.Invest., 132, 2022
4YO8
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BU of 4yo8 by Molmil
Crystal structure of Helicobacter pylori 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with (((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)(hexyl)amino)methanol
Descriptor: Aminodeoxyfutalosine nucleosidase, ZINC ION, {[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl](hexyl)amino}methanol
Authors:Cameron, S.A, Wang, S, Almo, S.C, Schramm, V.L.
Deposit date:2015-03-11
Release date:2015-11-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New Antibiotic Candidates against Helicobacter pylori.
J.Am.Chem.Soc., 137, 2015
3ZNS
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BU of 3zns by Molmil
HDAC7 bound with TFMO inhibitor tmp942
Descriptor: HISTONE DEACETYLASE 7, N-{[1-methyl-4-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]methyl}-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide, POTASSIUM ION, ...
Authors:Lobera, M, Madauss, K.P, Pohlhaus, D.T, Trump, R.P, Nolan, M.A.
Deposit date:2013-02-15
Release date:2013-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Selective Class Iia Histone Deacetylase Inhibition Via a Non-Chelating Zinc Binding Group
Nat.Chem.Biol., 9, 2013
8X5X
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BU of 8x5x by Molmil
CryoEM structure of the histamine H1 receptor in apo-form
Descriptor: Histamine H1 receptor,Soluble cytochrome b562
Authors:Wang, D.D, Guo, Q, Tao, Y.Y.
Deposit date:2023-11-20
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular mechanism of antihistamines recognition and regulation of the histamine H 1 receptor.
Nat Commun, 15, 2024

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数据于2024-05-08公开中

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