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3LCS
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BU of 3lcs by Molmil
Crystal Structure of the Anaplastic Lymphoma Kinase Catalytic Domain
Descriptor: ALK tyrosine kinase receptor, GLYCEROL, STAUROSPORINE
Authors:Lee, C.C.
Deposit date:2010-01-11
Release date:2010-08-04
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the ALK (anaplastic lymphoma kinase) catalytic domain.
Biochem.J., 430, 2010
3LTU
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BU of 3ltu by Molmil
5-SeMe-dU containing DNA 8mer
Descriptor: 5'-D(*GP*(UMS)P*GP*(T5S)P*AP*CP*AP*C)-3'
Authors:Sheng, J, Hassan, A.E.A, Zhang, W, Gan, J, Huang, Z.
Deposit date:2010-02-16
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Synthesis of Pyrimidine Modified Seleno-DNA as a Novel Approach to Antisense Candidate
Chemistryselect, 8, 2023
5EJN
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BU of 5ejn by Molmil
Crystal structure of Juno, the mammalian egg receptor for sperm Izumo1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Sperm-egg fusion protein Juno
Authors:Nishimura, K, Han, L, Jovine, L.
Deposit date:2015-11-02
Release date:2016-02-24
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.703 Å)
Cite:Divergent evolution of vitamin B9 binding underlies Juno-mediated adhesion of mammalian gametes.
Curr.Biol., 26, 2016
7P3I
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BU of 7p3i by Molmil
Crystal structure of human CD40/TNFRSF5 in complex with the anti-CD40 DARPin protein
Descriptor: Darpin, SODIUM ION, Tumor necrosis factor receptor superfamily member 5
Authors:Malvezzi, F, Mangold, S, Hospodarsch, T, Reichen, C, Iss, C, Lammens, A, Krapp, S, Domke, C.
Deposit date:2021-07-07
Release date:2022-04-06
Last modified:2022-05-11
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:A Multispecific Anti-CD40 DARPin Construct Induces Tumor-Selective CD40 Activation and Tumor Regression.
Cancer Immunol Res, 10, 2022
7BQ9
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BU of 7bq9 by Molmil
Crystal structure of ASFV p15
Descriptor: 60 kDa polyprotein
Authors:Fu, D, Chen, C, Guo, Y.
Deposit date:2020-03-24
Release date:2020-06-24
Method:X-RAY DIFFRACTION (2.612 Å)
Cite:Structure of a bifunctional membrane-DNA binding protein, African swine fever virus p15
Protein Cell, 2020
7XT0
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BU of 7xt0 by Molmil
Crystal structure of RNA helicase from Saint Louis encephalitis virus and discovery of its inhibitors
Descriptor: 1,2-ETHANEDIOL, RNA helicase
Authors:Wang, D.P, Jiang, F.Y, Zeng, X.Y, Zhao, R, Chen, C, Zhu, Y, Cao, J.M.
Deposit date:2022-05-15
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Crystal structure of RNA helicase from Saint Louis encephalitis virus and discovery of its inhibitors
To Be Published
1DAN
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BU of 1dan by Molmil
Complex of active site inhibited human blood coagulation factor VIIA with human recombinant soluble tissue factor
Descriptor: BLOOD COAGULATION FACTOR VIIA heavy chain, BLOOD COAGULATION FACTOR VIIA light chain, CACODYLATE ION, ...
Authors:Banner, D.W.
Deposit date:1997-03-05
Release date:1997-09-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of the complex of blood coagulation factor VIIa with soluble tissue factor.
Nature, 380, 1996
5ZU0
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BU of 5zu0 by Molmil
Proteobacterial origin of protein arginine methylation and regulation of Complex I assembly by MidA
Descriptor: Protein arginine methyltransferase NDUFAF7 homolog, mitochondrial, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Arold, S.T, Swaminathan, K, Hameed, U.F.S.
Deposit date:2018-05-05
Release date:2018-08-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Proteobacterial Origin of Protein Arginine Methylation and Regulation of Complex I Assembly by MidA.
Cell Rep, 24, 2018
5ZTZ
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BU of 5ztz by Molmil
Proteobacterial origin of protein arginine methylation and regulation of Complex I assembly by MidA
Descriptor: Protein arginine methyltransferase NDUFAF7 homolog, mitochondrial
Authors:Arold, S.T, Swaminathan, K, Hameed, U.F.S.
Deposit date:2018-05-05
Release date:2018-08-22
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Proteobacterial Origin of Protein Arginine Methylation and Regulation of Complex I Assembly by MidA.
Cell Rep, 24, 2018
5ZZW
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BU of 5zzw by Molmil
Proteobacterial origin of protein arginine methylation and regulation of Complex I assembly by MidA
Descriptor: Protein arginine methyltransferase NDUFAF7 homolog, mitochondrial, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Arold, S.T, Swaminathan, K, Hameed, U.F.S.
Deposit date:2018-06-04
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Proteobacterial Origin of Protein Arginine Methylation and Regulation of Complex I Assembly by MidA.
Cell Rep, 24, 2018
8F7T
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BU of 8f7t by Molmil
Glycan-Base ConC Env Trimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 Env gp120, ...
Authors:Olia, A.S, Kwong, P.D.
Deposit date:2022-11-20
Release date:2023-09-27
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Soluble prefusion-closed HIV-envelope trimers with glycan-covered bases.
Iscience, 26, 2023
8G4M
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BU of 8g4m by Molmil
Vaccine-elicited human antibody 2C06 in complex with HIV-1 envelope trimer BG505 DS-SOSIP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein gp120, ...
Authors:Wang, S, Morano, N.C, Shapiro, L, Kwong, P.D.
Deposit date:2023-02-10
Release date:2023-07-12
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (2.95 Å)
Cite:HIV-1 neutralizing antibodies elicited in humans by a prefusion-stabilized envelope trimer form a reproducible class targeting fusion peptide.
Cell Rep, 42, 2023
8G4T
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BU of 8g4t by Molmil
Vaccine-elicited human antibody 2C09 in complex with HIV-1 envelope trimer BG505 DS-SOSIP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein BG505 DS-SOSIP gp120, ...
Authors:Wang, S, Kwong, P.D.
Deposit date:2023-02-10
Release date:2023-07-12
Last modified:2023-07-26
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:HIV-1 neutralizing antibodies elicited in humans by a prefusion-stabilized envelope trimer form a reproducible class targeting fusion peptide.
Cell Rep, 42, 2023
8OTV
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BU of 8otv by Molmil
Crystal structure of NUDT14 complexed with novel compound
Descriptor: 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Balikci, E, Feyerherm, C, Bradshaw, W, Seupel, R, Brennan, P.E, Bountra, C, von Delft, F, Huber, K, Structural Genomics Consortium (SGC)
Deposit date:2023-04-21
Release date:2024-05-01
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
7QO4
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BU of 7qo4 by Molmil
26S proteasome WT-Ubp6-UbVS complex in the si state (ATPases, Rpn1, Ubp6, and UbVS)
Descriptor: 26S proteasome regulatory subunit RPN1, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
Deposit date:2021-12-23
Release date:2022-06-01
Method:ELECTRON MICROSCOPY (7 Å)
Cite:Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
4LSJ
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BU of 4lsj by Molmil
Crystal Structure of the Glucocorticoid Receptor Ligand Binding Domain Bound to a Dibenzoxapine Sulfonamide
Descriptor: D30 peptide, Glucocorticoid receptor, N-{3-[(1Z)-1-(10-methoxydibenzo[b,e]oxepin-11(6H)-ylidene)propyl]phenyl}methanesulfonamide
Authors:Carson, M, Luz, J.G, Clawson, D, Coghlan, M.
Deposit date:2013-07-22
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Glucocorticoid receptor modulators informed by crystallography lead to a new rationale for receptor selectivity, function, and implications for structure-based design.
J.Med.Chem., 57, 2014
7LZE
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BU of 7lze by Molmil
Cryo-EM Structure of disulfide stabilized HMPV F v4-B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fusion glycoprotein F0
Authors:Gorman, J, Kwong, P.D.
Deposit date:2021-03-09
Release date:2021-08-25
Last modified:2021-10-06
Method:ELECTRON MICROSCOPY (3.23 Å)
Cite:Interprotomer disulfide-stabilized variants of the human metapneumovirus fusion glycoprotein induce high titer-neutralizing responses.
Proc.Natl.Acad.Sci.USA, 118, 2021
6L8O
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BU of 6l8o by Molmil
Crystal structure of the K. lactis Rad5 (Hg-derivative)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA repair protein RAD5, MERCURY (II) ION
Authors:Shen, M, Xiang, S.
Deposit date:2019-11-06
Release date:2020-11-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
6L8N
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BU of 6l8n by Molmil
Crystal structure of the K. lactis Rad5
Descriptor: DNA repair protein RAD5, ZINC ION
Authors:Shen, M, Xiang, S.
Deposit date:2019-11-06
Release date:2020-11-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural basis for the multi-activity factor Rad5 in replication stress tolerance.
Nat Commun, 12, 2021
4R1Y
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BU of 4r1y by Molmil
Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitor
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, 3-(diethylamino)propyl (3-{[5-(3,4-dimethoxyphenyl)-2-oxo-2H-1,3,4-thiadiazin-3(6H)-yl]methyl}phenyl)carbamate, Hepatocyte growth factor receptor
Authors:Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O.
Deposit date:2014-08-08
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
8EKO
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BU of 8eko by Molmil
Sperm whale myoglobin mutant L29H F33W F43H (F33W CuBMb)
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ledray, A.P, Dwaraknath, S, Lu, Y.
Deposit date:2022-09-21
Release date:2022-10-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Tryptophan Can Promote Oxygen Reduction to Water in a Biosynthetic Model of Heme Copper Oxidases.
Biochemistry, 62, 2023
4R1V
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BU of 4r1v by Molmil
Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors
Descriptor: 3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile, GAMMA-BUTYROLACTONE, Hepatocyte growth factor receptor
Authors:Blaukat, A, Bladt, F, Friese-Hamim, M, Knuehl, C, Fittschen, C, Graedler, U, Meyring, M, Dorsch, D, Stieber, F, Schadt, O.
Deposit date:2014-08-07
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Identification and optimization of pyridazinones as potent and selective c-Met kinase inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
6E5B
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BU of 6e5b by Molmil
Human Immunoproteasome 20S particle in complex with compound 1
Descriptor: Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ...
Authors:Steinbacher, S, Augustin, M, Blaesse, M, Harris, S.F.
Deposit date:2018-07-19
Release date:2019-09-11
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Design and Evaluation of Highly Selective Human Immunoproteasome Inhibitors Reveal a Compensatory Process That Preserves Immune Cell Viability.
J.Med.Chem., 62, 2019
6INU
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BU of 6inu by Molmil
Crystal structure of the CysR-CTLD2 fragment of human MR at acidic pH (pH 4.6)
Descriptor: Macrophage mannose receptor 1
Authors:Hu, Z, He, Y.
Deposit date:2018-10-27
Release date:2019-09-18
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural basis of the pH-dependent conformational change of the N-terminal region of human mannose receptor/CD206.
J.Struct.Biol., 208, 2019
6INN
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BU of 6inn by Molmil
Crystal structure of the CysR-CTLD3 fragment of human MR at acidic pH (pH 5.6)
Descriptor: Macrophage mannose receptor 1
Authors:Hu, Z, He, Y.
Deposit date:2018-10-26
Release date:2019-09-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Structural basis of the pH-dependent conformational change of the N-terminal region of human mannose receptor/CD206.
J.Struct.Biol., 208, 2019

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