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3MGT
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BU of 3mgt by Molmil
Crystal structure of a H5-specific CTL epitope variant derived from H5N1 influenza virus in complex with HLA-A*0201
Descriptor: 10-meric peptide from Hemagglutinin, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Sun, Y, Liu, J, Yang, M, Gao, F, Zhou, J, Kitamura, Y.
Deposit date:2010-04-07
Release date:2010-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Identification and structural definition of H5-specific CTL epitopes restricted by HLA-A*0201 derived from the H5N1 subtype of influenza A viruses
J.Gen.Virol., 91, 2010
3IJW
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BU of 3ijw by Molmil
Crystal structure of BA2930 in complex with CoA
Descriptor: ACETYL COENZYME *A, Aminoglycoside N3-acetyltransferase, CHLORIDE ION, ...
Authors:Klimecka, M.M, Chruszcz, M, Skarina, T, Onopryienko, O, Cymborowski, M, Savchenko, A, Edwards, A, Anderson, W, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-08-05
Release date:2009-10-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of a Putative Aminoglycoside N-Acetyltransferase from Bacillus anthracis.
J.Mol.Biol., 410, 2011
4PKD
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BU of 4pkd by Molmil
U1-70k in complex with U1 snRNA stem-loops 1 and U1-A RRM in complex with stem-loop 2
Descriptor: IMIDAZOLE, MAGNESIUM ION, U1 small nuclear ribonucleoprotein A,U1 small nuclear ribonucleoprotein 70 kDa, ...
Authors:Oubridge, C, Kondo, Y, van Roon, A.M, Nagai, K.
Deposit date:2014-05-14
Release date:2014-12-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human U1 snRNP, a small nuclear ribonucleoprotein particle, reveals the mechanism of 5' splice site recognition.
Elife, 4, 2015
3IRR
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BU of 3irr by Molmil
Crystal Structure of a Z-Z junction (with HEPES intercalating)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*A*CP*CP*GP*CP*GP*CP*GP*AP*CP*GP*CP*GP*CP*G)-3'), DNA (5'-D(*G*TP*CP*GP*CP*GP*CP*GP*TP*CP*GP*CP*GP*CP*G)-3'), ...
Authors:Athanasiadis, A, de Rosa, M.
Deposit date:2009-08-24
Release date:2010-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of a junction between two Z-DNA helices.
Proc.Natl.Acad.Sci.USA, 107, 2010
3MTF
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BU of 3mtf by Molmil
Crystal structure of the ACVR1 kinase in complex with a 2-aminopyridine inhibitor
Descriptor: 1,2-ETHANEDIOL, 3-[6-amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl]phenol, Activin receptor type-1, ...
Authors:Chaikuad, A, Sanvitale, C, Cooper, C, Mahajan, P, Daga, N, Petrie, K, Alfano, I, Canning, P, Krojer, T, Vollmar, M, Knapp, S, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC)
Deposit date:2010-04-30
Release date:2010-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A new class of small molecule inhibitor of BMP signaling.
Plos One, 8, 2013
3MTN
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BU of 3mtn by Molmil
Usp21 in complex with a ubiquitin-based, USP21-specific inhibitor
Descriptor: CHLORIDE ION, GLYCEROL, UBIQUITIN VARIANT UBV.21.4, ...
Authors:Walker, J.R, Avvakumov, G.V, Xue, S, Li, Y, Ernst, A, Sidhu, S, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2010-04-30
Release date:2010-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A strategy for modulation of enzymes in the ubiquitin system.
Science, 339, 2013
6BL6
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BU of 6bl6 by Molmil
Crystallization of lipid A transporter MsbA from Salmonella typhimurium
Descriptor: Lipid A export ATP-binding/permease protein MsbA
Authors:Padayatti, P.S, Stanfield, R.L, Zhang, Q, Wilson, I.A, Lee, S.C.
Deposit date:2017-11-09
Release date:2019-01-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights into the Lipid A Transport Pathway in MsbA.
Structure, 27, 2019
7C9R
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BU of 7c9r by Molmil
STRUCTURE OF PHOTOSYNTHETIC LH1-RC SUPER-COMPLEX OF THIORHODOVIBRIO STRAIN 970
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E})-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-6,8,10,12,14,16,18,20,22,24,26-undecaene, Alpha subunit 1 of light-harvesting 1 complex, ...
Authors:Tani, K, Kanno, R, Makino, Y, Hall, M, Takenouchi, M, Imanishi, M, Yu, L.-J, Overmann, J, Madigan, M.T, Kimura, Y, Mizoguchi, A, Humbel, B.M, Wang-Otomo, Z.-Y.
Deposit date:2020-06-07
Release date:2020-10-07
Last modified:2020-10-14
Method:ELECTRON MICROSCOPY (2.82 Å)
Cite:Cryo-EM structure of a Ca 2+ -bound photosynthetic LH1-RC complex containing multiple alpha beta-polypeptides.
Nat Commun, 11, 2020
5E30
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BU of 5e30 by Molmil
Crystal structure of H5 hemagglutinin Q226L mutant from the influenza virus A/duck/Egypt/10185SS/2010 (H5N1) with LSTc
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2015-10-01
Release date:2015-12-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Basis for a Switch in Receptor Binding Specificity of Two H5N1 Hemagglutinin Mutants.
Cell Rep, 13, 2015
4MZK
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BU of 4mzk by Molmil
Crystal Structure of MTIP from Plasmodium falciparum in complex with pGly[807,811], a stapled myoA tail peptide
Descriptor: Myosin A tail domain interacting protein, pGly[807,811], a stapled myoA tail peptide
Authors:Douse, C.H, Garnett, J.A, Maas, S.J, Cota, E, Tate, E.W.
Deposit date:2013-09-30
Release date:2013-11-06
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structures of Stapled and Hydrogen Bond Surrogate Peptides Targeting a Fully Buried Protein-Helix Interaction.
Acs Chem.Biol., 8, 2014
5F5F
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BU of 5f5f by Molmil
X-ray structure of Roquin ROQ domain in complex with a Selex-derived hexa-loop RNA motif
Descriptor: RNA (5'-R(P*UP*GP*AP*CP*UP*GP*CP*GP*UP*UP*UP*UP*AP*GP*GP*AP*GP*UP*UP*A)-3'), Roquin-1
Authors:Janowski, R, Schlundt, A, Sattler, M, Niessing, D.
Deposit date:2015-12-04
Release date:2016-04-06
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3 Å)
Cite:Roquin recognizes a non-canonical hexaloop structure in the 3'-UTR of Ox40.
Nat Commun, 7, 2016
3HOC
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BU of 3hoc by Molmil
Structure of the actin-binding domain of human filamin A mutant E254K
Descriptor: Filamin-A, PHOSPHATE ION
Authors:Clark, A.R, Sawyer, G.M, Robertson, S.P, Sutherland-Smith, A.J.
Deposit date:2009-06-02
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Skeletal dysplasias due to filamin A mutations result from a gain-of-function mechanism distinct from allelic neurological disorders
Hum.Mol.Genet., 18, 2009
7FDW
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BU of 7fdw by Molmil
Crystal structure of pepsin cleaved lactoferrin C-lobe at 2.28 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ...
Authors:Singh, P.K, Singh, J, Maurya, A, Sharma, P, Sharma, S, Singh, T.P.
Deposit date:2021-07-18
Release date:2021-08-04
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.277 Å)
Cite:A Peptide Bond from the Inter-lobe Segment in the Bilobal Lactoferrin Acts as a Preferred Site for Cleavage for Serine Proteases to Generate the Perfect C-lobe: Structure of the Pepsin Hydrolyzed Lactoferrin C-lobe at 2.28 angstrom Resolution.
Protein J., 40, 2021
7BCM
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BU of 7bcm by Molmil
The DDR1 Kinase Domain Bound To SR302
Descriptor: Epithelial discoidin domain-containing receptor 1, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
Authors:Mathea, S, Chatterjee, D, Preuss, F, Roehm, S, Joerger, A, Knapp, S.
Deposit date:2020-12-20
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
6BWD
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BU of 6bwd by Molmil
3.7 angstrom cryoEM structure of truncated mouse TRPM7
Descriptor: CHOLESTEROL HEMISUCCINATE, MAGNESIUM ION, Transient receptor potential cation channel subfamily M member 7
Authors:Zhang, J, Li, Z, Duan, J, Li, J, Hulse, R.E, Santa-Cruz, A, Abiria, S.A, Krapivinsky, G, Clapham, D.E.
Deposit date:2017-12-14
Release date:2018-08-15
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the mammalian TRPM7, a magnesium channel required during embryonic development.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
7BDO
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BU of 7bdo by Molmil
MAPK14 bound with SR302
Descriptor: Mitogen-activated protein kinase 14, ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
Authors:Schroeder, M, Roehm, S, Joerger, A, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2020-12-22
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
3KJQ
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BU of 3kjq by Molmil
Caspase 8 with covalent inhibitor
Descriptor: (3S)-3-({[(5S,8R)-2-(3-carboxypropyl)-8-(2-{[(4-chlorophenyl)acetyl]amino}ethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid, Caspase-8
Authors:Kamtekar, S, Watt, W, Finzel, B.C, Harris, M.S, Blinn, J, Wang, Z, Tomasselli, A.G.
Deposit date:2009-11-03
Release date:2010-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Kinetic and structural characterization of caspase-3 and caspase-8 inhibition by a novel class of irreversible inhibitors.
Biochim.Biophys.Acta, 1804, 2010
3H2K
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BU of 3h2k by Molmil
Crystal structure of a ligand-bound form of the rice cell wall degrading esterase LipA from Xanthomonas oryzae
Descriptor: esterase, octyl beta-D-glucopyranoside
Authors:Aparna, G, Chatterjee, A, Sonti, R.V, Sankaranarayanan, R.
Deposit date:2009-04-14
Release date:2009-08-18
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Cell Wall-Degrading Esterase of Xanthomonas oryzae Requires a Unique Substrate Recognition Module for Pathogenesis on Rice
Plant Cell, 21, 2009
6B35
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BU of 6b35 by Molmil
NMR ensemble of Tyrocidine A analogue AC3.28
Descriptor: Tyrocidine A analogue D-PHE-BE2-PHE-D-PHE-ASN-LYS-TYR-VAL-ORN-LEU
Authors:Cameron, A.J, Ewdards, P.J.B, Harjes, E, Sarojini, V.
Deposit date:2017-09-20
Release date:2017-12-06
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Tyrocidine A Analogues Bearing the Planar d-Phe-2-Abz Turn Motif: How Conformation Impacts Bioactivity.
J. Med. Chem., 60, 2017
5RSA
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BU of 5rsa by Molmil
COMPARISON OF TWO INDEPENDENTLY REFINED MODELS OF RIBONUCLEASE-A
Descriptor: PHOSPHATE ION, RIBONUCLEASE A
Authors:Wlodawer, A.
Deposit date:1985-04-29
Release date:1985-07-17
Last modified:2023-03-15
Method:NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION
Cite:Comparison of Two Independently Refined Models of Ribonuclease-A
Acta Crystallogr.,Sect.B, 42, 1986
6BAN
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BU of 6ban by Molmil
Potent and Selective Antitumor Activity of a T-Cell Engaging Bispecific Antibody Targeting a Membrane-Proximal Epitope of ROR1
Descriptor: Inactive tyrosine-protein kinase transmembrane receptor ROR1, Variable domain R11 Heavy chain, Variable domain of R11 Light Chain
Authors:Park, H, Rader, C.
Deposit date:2017-10-14
Release date:2018-06-13
Last modified:2019-12-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Potent and selective antitumor activity of a T cell-engaging bispecific antibody targeting a membrane-proximal epitope of ROR1.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6C83
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BU of 6c83 by Molmil
Structure of Aurora A (122-403) bound to inhibitory Monobody Mb2 and AMPPCP
Descriptor: Aurora kinase A, Mb2 Monobody, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Hoemberger, M, Kutter, S, Zorba, A, Nguyen, V, Shohei, A, Shohei, K, Kern, D.
Deposit date:2018-01-24
Release date:2019-02-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Allosteric modulation of a human protein kinase with monobodies.
Proc.Natl.Acad.Sci.USA, 116, 2019
1OE9
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BU of 1oe9 by Molmil
Crystal structure of Myosin V motor with essential light chain-nucleotide-free
Descriptor: MYOSIN LIGHT CHAIN 1, SLOW-TWITCH MUSCLE A ISOFORM, MYOSIN VA, ...
Authors:Coureux, P.-D, Wells, A.L, Menetrey, J, Yengo, C.M, Morris, C.A, Sweeney, H.L, Houdusse, A.
Deposit date:2003-03-21
Release date:2003-09-26
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A Structural State of the Myosin V Motor without Bound Nucleotide
Nature, 425, 2003
3AN2
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BU of 3an2 by Molmil
The structure of the centromeric nucleosome containing CENP-A
Descriptor: 147 mer DNA, Histone H2A type 1-B/E, Histone H2B type 1-J, ...
Authors:Tachiwana, H, Kagawa, W, Shiga, T, Saito, K, Osakabe, A, Hayashi-Takanaka, Y, Park, S.-Y, Kimura, H, Kurumizaka, H.
Deposit date:2010-08-27
Release date:2011-07-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Crystal structure of the human centromeric nucleosome containing CENP-A
Nature, 476, 2011
4QTB
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BU of 4qtb by Molmil
Structure of human ERK1 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket
Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Chaikuad, A, Keates, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-07
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014

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