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7EV1
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BU of 7ev1 by Molmil
Crystal structure of LI-Cadherin EC1-2
Descriptor: ACETATE ION, CALCIUM ION, Cadherin-17, ...
Authors:Caaveiro, J.M.M, Yui, A, Tsumoto, K.
Deposit date:2021-05-19
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Mechanism of dimerization and structural features of human LI-cadherin.
J.Biol.Chem., 297, 2021
7F0W
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BU of 7f0w by Molmil
Crystal structure of KRAS-G12D bound to GDP with switch 1 open conformation
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAGNESIUM ION
Authors:Zhang, F.
Deposit date:2021-06-07
Release date:2021-06-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Crystal structure of KRAS-G12D bound to GDP with switch 1 open conformation
To Be Published
7EYX
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BU of 7eyx by Molmil
Crystal structure of Mg-free KRAS-G12D bound to GDP
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas
Authors:Fei, Z.
Deposit date:2021-06-01
Release date:2021-06-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal structure of Mg-free KRAS-G12D bound to GDP
To Be Published
3JXU
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BU of 3jxu by Molmil
Crystal structure of the human 70kDa heat shock protein 1A (Hsp70-1) ATPase domain in complex with ADP and inorganic phosphate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Heat shock 70 kDa protein 1, MAGNESIUM ION, ...
Authors:Wisniewska, M.M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Kotzsch, A, Markova, N, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-21
Release date:2009-10-20
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Crystal structures of the ATPase domains of four human Hsp70 isoforms: HSPA1L/Hsp70-hom, HSPA2/Hsp70-2, HSPA6/Hsp70B', and HSPA5/BiP/GRP78
Plos One, 5, 2010
2JDS
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BU of 2jds by Molmil
Structure of cAMP-dependent protein kinase complexed with A-443654
Descriptor: (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE, CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA
Authors:Davies, T.G, Verdonk, M.L, Graham, B, Saalau-Bethell, S, Hamlett, C.C.F, McHardy, T, Collins, I, Garrett, M.D, Workman, P, Woodhead, S.J, Jhoti, H, Barford, D.
Deposit date:2007-01-12
Release date:2007-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Structural Comparison of Inhibitor Binding to Pkb, Pka and Pka-Pkb Chimera
J.Mol.Biol., 367, 2007
7F49
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BU of 7f49 by Molmil
von Willebrand factor (VWF) A1 domain with BT-100 aptamer RNA
Descriptor: BT-100, GLYCEROL, von Willebrand factor
Authors:Zhu, S.
Deposit date:2021-06-18
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The development and characterization of a long acting anti-thrombotic von Willebrand factor (VWF) aptamer
J Thromb Haemost., 18, 2020
2JB9
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BU of 2jb9 by Molmil
PhoB response regulator receiver domain constitutively-active double mutant D10A and D53E.
Descriptor: PHOSPHATE REGULON TRANSCRIPTIONAL REGULATORY PROTEIN PHOB
Authors:Ferrer-Orta, C, Arribas-Bosacoma, R, Kim, S.-K, Blanco, A.G, Pereira, P.J.B, Gomis-Ruth, F.X, Wanner, B.L, Coll, M, Sola, M.
Deposit date:2006-12-05
Release date:2007-01-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The X-Ray Crystal Structures of Two Constitutively Active Mutants of the E. Coli Phob Receiver Domain Give Insights Into Activation
J.Mol.Biol., 366, 2007
7EOW
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BU of 7eow by Molmil
High-resolution structure of vWF A1 domain in complex with caplacizumab, the first nanobody-based medicine
Descriptor: caplacizumab, von Willebrand factor
Authors:Lee, H.T, Heo, Y.-S.
Deposit date:2021-04-23
Release date:2021-07-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-resolution structure of the vWF A1 domain in complex with caplacizumab, the first nanobody-based medicine for treating acquired TTP.
Biochem.Biophys.Res.Commun., 567, 2021
2JFL
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BU of 2jfl by Molmil
CRYSTAL STRUCTURE OF HUMAN STE20-LIKE KINASE (DIPHOSPHORYLATED FORM) BOUND TO 5- AMINO-3-((4-(AMINOSULFONYL)PHENYL)AMINO)-N-(2,6- DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE
Descriptor: 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CHLORIDE ION, ...
Authors:Pike, A.C.W, Rellos, P, Fedorov, O, Keates, T, Salah, E, Savitsky, P, Papagrigoriou, E, Bunkoczi, G, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Sundstrom, M, Knapp, S.
Deposit date:2007-02-02
Release date:2007-02-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
7F09
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BU of 7f09 by Molmil
Crystal structure of the HLH-Lz domain of human TFE3
Descriptor: 1,2-ETHANEDIOL, Transcription factor E3, ZINC ION
Authors:Yang, G, Li, P, Liu, Z, Wu, S, Zhuang, C, Qiao, H, Fang, P, Wang, J.
Deposit date:2021-06-03
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for the dimerization mechanism of human transcription factor E3.
Biochem.Biophys.Res.Commun., 569, 2021
7F3H
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BU of 7f3h by Molmil
Crystal structure of cytochrome P450DA heme domain
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SERINE, ...
Authors:Wan, N.W.
Deposit date:2021-06-16
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Directed evolution of cytochrome P450DA hydroxylase activity for stereoselective biohydroxylation
Catalysis Science And Technology, 12, 2022
3JVY
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BU of 3jvy by Molmil
HIV-1 Protease Mutant G86A with DARUNAVIR
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, Gag-Pol polyprotein, ...
Authors:Tie, Y, Weber, I.T.
Deposit date:2009-09-17
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Highly conserved glycine 86 and arginine 87 residues contribute differently to the structure and activity of the mature HIV-1 protease
Proteins, 78, 2009
2M9K
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BU of 2m9k by Molmil
RBPMS2-Nter
Descriptor: RNA-binding protein with multiple splicing 2
Authors:Yang, Y.
Deposit date:2013-06-12
Release date:2014-10-15
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Homodimerization of RBPMS2 through a new RRM-interaction motif is necessary to control smooth muscle plasticity.
Nucleic Acids Res., 42, 2014
2M94
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BU of 2m94 by Molmil
NMR structure of the lymphocyte receptor NKR-P1A
Descriptor: Killer cell lectin-like receptor subfamily B member 1A
Authors:Chmelik, J, Rozbesky, D, Pospisilova, E, Novak, P.
Deposit date:2013-05-31
Release date:2014-06-11
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:NMR structure of the lymphocyte receptor NKR-P1A reveals a different conformation of the conserved loop compared to crystal structure
To be Published
3JY0
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BU of 3jy0 by Molmil
Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
Descriptor: 8-chloro-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one, Proto-oncogene serine/threonine-protein kinase Pim-1
Authors:Stoll, V.S.
Deposit date:2009-09-21
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Discovery of 3H-benzo[4,5]thieno[3,2-d]pyrimidin-4-ones as Potent, Highly Selective and Orally Bioavailable Pim Kinases Inhibitors
To be Published
3KA2
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BU of 3ka2 by Molmil
Crystal structure of chemically synthesized 203 amino acid 'covalent dimer' [L-Ala;Gly51']HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor at 1.4 A resolution
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, [L-Ala51;Gly51']HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-10-18
Release date:2011-04-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Protein conformational dynamics in the mechanism of HIV-1 protease catalysis.
Proc.Natl.Acad.Sci.USA, 108, 2011
2MGL
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BU of 2mgl by Molmil
HIGH RESOLUTION CRYSTAL STRUCTURES OF FIVE DISTAL HISTIDINE MUTANTS OF SPERM WHALE MYOGLOBIN
Descriptor: MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
Authors:Quillin, M.L, Arduini, R.M, Phillips Jr, G.N.
Deposit date:1993-05-10
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution crystal structures of distal histidine mutants of sperm whale myoglobin.
J.Mol.Biol., 234, 1993
2LZH
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BU of 2lzh by Molmil
THE STRUCTURES OF THE MONOCLINIC AND ORTHORHOMBIC FORMS OF HEN EGG-WHITE LYSOZYME AT 6 ANGSTROMS RESOLUTION.
Descriptor: HEN EGG WHITE LYSOZYME
Authors:Artymiuk, P.J, Blake, C.C.F, Rice, D.W, Wilson, K.S.
Deposit date:1981-06-29
Release date:1981-09-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (6 Å)
Cite:The Structures of the Monoclinic and Orthorhombic Forms of Hen Egg-White Lysozyme at 6 Angstroms Resolution.
Acta Crystallogr.,Sect.B, 38, 1982
2LZT
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BU of 2lzt by Molmil
REFINEMENT OF TRICLINIC LYSOZYME. II. THE METHOD OF STEREOCHEMICALLY RESTRAINED LEAST-SQUARES
Descriptor: HEN EGG WHITE LYSOZYME, NITRATE ION
Authors:Ramanadham, M, Sieker, L.C, Jensen, L.H.
Deposit date:1989-08-21
Release date:1990-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Refinement of triclinic lysozyme: II. The method of stereochemically restrained least squares.
Acta Crystallogr.,Sect.B, 46, 1990
2MYC
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BU of 2myc by Molmil
HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES
Descriptor: MYOGLOBIN (N-BUTYL ISOCYANIDE), N-BUTYL ISOCYANIDE, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Johnson, K.A, Olson, J.S, Phillips Jr, G.N.
Deposit date:1993-08-04
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes
Thesis, 1993
2MYA
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BU of 2mya by Molmil
HIGH RESOLUTION X-RAY STRUCTURES OF MYOGLOBIN-AND HEMOGLOBIN-ALKYL ISOCYANIDE COMPLEXES
Descriptor: ETHYL ISOCYANIDE, MYOGLOBIN (ETHYL ISOCYANIDE), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Johnson, K.A, Olson, J.S, Phillips Jr, G.N.
Deposit date:1993-08-04
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High Resolution X-Ray Structures of Myoglobin-and Hemoglobin-Alkyl Isocyanide Complexes
Thesis, 1993
7BHN
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BU of 7bhn by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 2 s mixing with N-acetyl-D-glucosamine.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme, ...
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
7BK2
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BU of 7bk2 by Molmil
Crystal structure of CHK1-10pt-mutant complex with compound 44
Descriptor: 4-amino-7-methyl-2-({5-methyl-1-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1
Authors:Dokurno, P, Surgenor, A.E, Williamson, D.S.
Deposit date:2021-01-15
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
2MY2
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BU of 2my2 by Molmil
Snu17p-Bud13p structure intermediate during RES complex assembly
Descriptor: Pre-mRNA-splicing factor CWC26, U2 snRNP component IST3
Authors:Wysoczanski, P, Becker, S, Zweckstetter, M.
Deposit date:2015-01-19
Release date:2015-08-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structures of intermediates during RES complex assembly.
Sci Rep, 5, 2015
7BHM
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BU of 7bhm by Molmil
Crystal structure of hen egg white lysozyme using drop-on-drop SFX method - 0.7 s mixing with N-acetyl-D-glucosamine.
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, Lysozyme, ...
Authors:Butryn, A, Orville, A.M.
Deposit date:2021-01-11
Release date:2021-07-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021

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