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5FBO
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BU of 5fbo by Molmil
BTK-inhibitor co-structure
Descriptor: 4-[8-azanyl-3-[(2~{S})-1-[4-(dimethylamino)butanoyl]pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-~{N}-(1,3-thiazol-2-yl)benzamide, 4-[8-azanyl-3-[(3~{R},6~{S})-1-cyclopropylcarbonyl-6-methyl-piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-3-fluoranyl-~{N}-[4-(trifluoromethyl)pyridin-2-yl]benzamide, Tyrosine-protein kinase BTK
Authors:Fischmann, T.O.
Deposit date:2015-12-14
Release date:2016-03-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.894 Å)
Cite:Discovery of 8-Amino-imidazo[1,5-a]pyrazines as Reversible BTK Inhibitors for the Treatment of Rheumatoid Arthritis.
ACS Med Chem Lett, 7, 2016
5N7V
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BU of 5n7v by Molmil
TTK kinase domain in complex with MPI-0479605
Descriptor: 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL, Dual specificity protein kinase TTK, ~{N}6-cyclohexyl-~{N}2-(2-methyl-4-morpholin-4-yl-phenyl)-7~{H}-purine-2,6-diamine
Authors:Uitdehaag, J, Willemsen-Seegers, N, Zaman, G.J.R.
Deposit date:2017-02-21
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Target Residence Time-Guided Optimization on TTK Kinase Results in Inhibitors with Potent Anti-Proliferative Activity.
J. Mol. Biol., 429, 2017
6Q9P
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BU of 6q9p by Molmil
Crystal structure of human Arginase-1 at pH 9.0 in complex with ABH
Descriptor: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, MANGANESE (II) ION, ...
Authors:Grobben, Y, Uitdehaag, J.C.M, Zaman, G.J.R.
Deposit date:2018-12-18
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structural insights into human Arginase-1 pH dependence and its inhibition by the small molecule inhibitor CB-1158.
J Struct Biol X, 4, 2020
6QAF
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BU of 6qaf by Molmil
Crystal structure of human Arginase-1 at pH 9.0 in complex with CB-1158/INCB001158
Descriptor: Arginase-1, MANGANESE (II) ION, SODIUM ION, ...
Authors:Grobben, Y, Uitdehaag, J.C.M, Tabak, W.W.A, Zaman, G.J.R.
Deposit date:2018-12-19
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Structural insights into human Arginase-1 pH dependence and its inhibition by the small molecule inhibitor CB-1158.
J Struct Biol X, 4, 2020
6QLC
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BU of 6qlc by Molmil
The ssDNA-binding RNA polymerase cofactor Drc from Pseudomonas phage LUZ7
Descriptor: PHOSPHATE ION, ssDNA binding RNA Polymerase cofactor
Authors:De Zitter, E, Boon, M, De Smet, J, Lavigne, R, Van Meervelt, L.
Deposit date:2019-01-31
Release date:2019-10-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:'Drc', a structurally novel ssDNA-binding transcription regulator of N4-related bacterial viruses.
Nucleic Acids Res., 48, 2020
6Q92
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BU of 6q92 by Molmil
Crystal structure of human Arginase-1 at pH 7.0 in complex with ABH
Descriptor: 2(S)-AMINO-6-BORONOHEXANOIC ACID, Arginase-1, MANGANESE (II) ION, ...
Authors:Grobben, Y, Uitdehaag, J.C.M, Zaman, G.J.R.
Deposit date:2018-12-17
Release date:2019-12-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into human Arginase-1 pH dependence and its inhibition by the small molecule inhibitor CB-1158.
J Struct Biol X, 4, 2020
6OMO
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BU of 6omo by Molmil
Human BMP6 homodimer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 6, ...
Authors:Juo, Z.S, Seeherman, H.
Deposit date:2019-04-19
Release date:2019-05-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A BMP/activin A chimera is superior to native BMPs and induces bone repair in nonhuman primates when delivered in a composite matrix.
Sci Transl Med, 11, 2019
3P54
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BU of 3p54 by Molmil
Crystal Structure of the Japanese Encephalitis Virus Envelope Protein, strain SA-14-14-2.
Descriptor: envelope glycoprotein
Authors:Luca, V.C, Nelson, C.A, AbiMansour, J.P, Diamond, M.S, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-10-07
Release date:2010-12-08
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (2.097 Å)
Cite:Crystal structure of the Japanese encephalitis virus envelope protein.
J.Virol., 86, 2012
6OMN
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BU of 6omn by Molmil
Glycosylated BMP2 homodimer
Descriptor: Bone morphogenetic protein 2, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Juo, Z.S, Seeherman, H.
Deposit date:2019-04-19
Release date:2019-05-08
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:A BMP/activin A chimera is superior to native BMPs and induces bone repair in nonhuman primates when delivered in a composite matrix.
Sci Transl Med, 11, 2019
6OML
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BU of 6oml by Molmil
Human BMP chimera BV261
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 2 and Bone morphogenetic protein 6, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Seeherman, H, Juo, Z.S.
Deposit date:2019-04-18
Release date:2019-05-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A BMP/activin A chimera is superior to native BMPs and induces bone repair in nonhuman primates when delivered in a composite matrix.
Sci Transl Med, 11, 2019
3CQL
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BU of 3cql by Molmil
Crystal Structure of GH family 19 chitinase from Carica papaya
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, Endochitinase, ...
Authors:Huet, J, Rucktoa, P, Clantin, B, Azarkan, M, Looze, Y, Villeret, V, Wintjens, R.
Deposit date:2008-04-03
Release date:2008-08-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:X-ray Structure of Papaya Chitinase Reveals the Substrate Binding Mode of Glycosyl Hydrolase Family 19 Chitinases.
Biochemistry, 47, 2008
6QH3
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BU of 6qh3 by Molmil
Catalytic domain of the human ubiquitin-conjugating enzyme UBE2S C118M
Descriptor: 1,2-ETHANEDIOL, Ubiquitin-conjugating enzyme E2 S
Authors:Liess, A.K.L, Lorenz, S.
Deposit date:2019-01-15
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Autoinhibition Mechanism of the Ubiquitin-Conjugating Enzyme UBE2S by Autoubiquitination.
Structure, 27, 2019
6Z1Z
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BU of 6z1z by Molmil
Structure of the anti-CD9 nanobody 4C8
Descriptor: Nanobody 4C8
Authors:Neviani, N, Oosterheert, W, Pearce, N.M, Lutz, M, Kroon-Batenburg, L.M.J, Gros, P.
Deposit date:2020-05-14
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F.
Life Sci Alliance, 3, 2020
6Z1V
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BU of 6z1v by Molmil
Structure of the EC2 domain of CD9 in complex with nanobody 4E8
Descriptor: 1,2-ETHANEDIOL, ACETIC ACID, CD9 antigen, ...
Authors:Oosterheert, W, Pearce, N.M, Gros, P.
Deposit date:2020-05-14
Release date:2020-09-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F.
Life Sci Alliance, 3, 2020
6QHK
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BU of 6qhk by Molmil
PAO-linked dimer of the catalytic domain of the human ubiquitin-conjugating enzyme UBE2S
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Phenylarsine oxide, ...
Authors:Liess, A.K.L, Lorenz, S.
Deposit date:2019-01-16
Release date:2019-07-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Autoinhibition Mechanism of the Ubiquitin-Conjugating Enzyme UBE2S by Autoubiquitination.
Structure, 27, 2019
6S98
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BU of 6s98 by Molmil
Crystal structure of the catalytic domain of UBE2S WT.
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, SODIUM ION, ...
Authors:Liess, A.K.L, Lorenz, S.
Deposit date:2019-07-11
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Dimerization regulates the human APC/C-associated ubiquitin-conjugating enzyme UBE2S.
Sci.Signal., 13, 2020
6S96
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BU of 6s96 by Molmil
Crystal structure of the catalytic domain of UBE2S C118A.
Descriptor: FORMIC ACID, SODIUM ION, Ubiquitin-conjugating enzyme E2 S
Authors:Liess, A.K.L, Lorenz, S.
Deposit date:2019-07-11
Release date:2020-10-21
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Dimerization regulates the human APC/C-associated ubiquitin-conjugating enzyme UBE2S.
Sci.Signal., 13, 2020
6RLR
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BU of 6rlr by Molmil
Crystal structure of CD9 large extracellular loop
Descriptor: CD9 antigen
Authors:Neviani, V, Kroon-Batenburg, L, Lutz, M, Pearce, N.M, Pos, W, Schotte, R, Spits, H, Gros, P.
Deposit date:2019-05-02
Release date:2020-09-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2 Å)
Cite:Implications for tetraspanin-enriched microdomain assembly based on structures of CD9 with EWI-F.
Life Sci Alliance, 3, 2020
6JEH
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BU of 6jeh by Molmil
Crystal structure of calcium free human gelsolin amyloid mutant D187Y
Descriptor: Gelsolin
Authors:Zorgati, H, Robinson, R.C.
Deposit date:2019-02-05
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:The role of gelsolin domain 3 in familial amyloidosis (Finnish type).
Proc.Natl.Acad.Sci.USA, 116, 2019
6JCO
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BU of 6jco by Molmil
Crystal structure of calcium free human gelsolin amyloid mutant D187N
Descriptor: Gelsolin
Authors:Zorgati, H, Robinson, R.C.
Deposit date:2019-01-29
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:The role of gelsolin domain 3 in familial amyloidosis (Finnish type).
Proc.Natl.Acad.Sci.USA, 116, 2019
6JEG
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BU of 6jeg by Molmil
Crystal structure of calcium free human gelsolin amyloid mutant G167R
Descriptor: GLYCEROL, Gelsolin
Authors:Zorgati, H, Robinson, R.C.
Deposit date:2019-02-05
Release date:2019-06-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.975 Å)
Cite:The role of gelsolin domain 3 in familial amyloidosis (Finnish type).
Proc.Natl.Acad.Sci.USA, 116, 2019
6H1F
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BU of 6h1f by Molmil
Structure of the nanobody-stabilized gelsolin D187N variant (second domain)
Descriptor: Gelsolin, THIOCYANATE ION, gelsolin nanobody, ...
Authors:Hassan, A, Milani, M, Mastrangelo, E, de Rosa, M.
Deposit date:2018-07-11
Release date:2019-01-23
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Nanobody interaction unveils structure, dynamics and proteotoxicity of the Finnish-type amyloidogenic gelsolin variant.
Biochim Biophys Acta Mol Basis Dis, 1865, 2019
1NXB
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BU of 1nxb by Molmil
STRUCTURE AND FUNCTION OF SNAKE VENOM CURARIMIMETIC NEUROTOXINS
Descriptor: NEUROTOXIN B, SULFATE ION
Authors:Tsernoglou, D, Petsko, G.A.
Deposit date:1980-08-08
Release date:1981-01-27
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Structure and function of snake venom curarimimetic neurotoxins.
Mol.Pharmacol., 14, 1978
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