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5KH7
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BU of 5kh7 by Molmil
Crystal structure of fragment (3-[6-Oxo-3-(3-pyridinyl)-1(6H)-pyridazinyl]propanoic acid) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: 3-(6-oxidanylidene-3-pyridin-3-yl-pyridazin-1-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ...
Authors:Harding, R.J, Walker, J, Ravichandran, M, Ferreira de Freitas, R, Schapira, M, Bountra, C, Edwards, A.M, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
Deposit date:2016-06-14
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
8SKO
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BU of 8sko by Molmil
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia with L-Captopril bound
Descriptor: L-CAPTOPRIL, Metallo-beta-lactamase type 2, ZINC ION
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2023-04-20
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
J.Biol.Chem., 299, 2023
3CEQ
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BU of 3ceq by Molmil
The TPR domain of Human Kinesin Light Chain 2 (hKLC2)
Descriptor: Kinesin light chain 2
Authors:Zhu, H, Shen, Y, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-02-29
Release date:2008-08-12
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The TPR domain of Human Kinesin Light Chain 2 (hKLC2)
To be Published
3CIG
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BU of 3cig by Molmil
Crystal structure of mouse TLR3 ectodomain
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Liu, L, Botos, I, Wang, Y, Leonard, J.N, Shiloach, J, Segal, D.M, Davies, D.R.
Deposit date:2008-03-11
Release date:2008-05-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Structural basis of toll-like receptor 3 signaling with double-stranded RNA.
Science, 320, 2008
3CIS
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BU of 3cis by Molmil
The Crystal Structure of Rv2623 from Mycobacterium tuberculosis
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Uncharacterized protein
Authors:Bilder, P, Drumm, J, Mi, K, Chan, J, Almo, S.C.
Deposit date:2008-03-11
Release date:2009-03-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Crystal Structure of Rv2623 : a Novel, Tandem-Repeat Universal Stress Protein of Mycobacterium tuberculosis
To be Published
8STN
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BU of 8stn by Molmil
Crystal structure of KRAS-G12D/G75A mutant, GDP-bound
Descriptor: CHLORIDE ION, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Tran, T.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-05-10
Release date:2023-08-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity.
Cancer Res., 83, 2023
3CK2
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BU of 3ck2 by Molmil
Crystal structure of conserved uncharacterized protein (predicted phosphoesterase COG0622) from Streptococcus pneumoniae TIGR4
Descriptor: CHLORIDE ION, Conserved uncharacterized protein (predicted phosphoesterase COG0622), MANGANESE (II) ION, ...
Authors:Nocek, B, Zhou, M, Abdullah, J, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-03-14
Release date:2008-04-01
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of conserved uncharacterized protein (predicted phosphoesterase COG0622) from Streptococcus pneumoniae TIGR4.
To be Published
3CKD
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BU of 3ckd by Molmil
Crystal structure of the C-terminal domain of the Shigella type III effector IpaH
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, Invasion plasmid antigen, ...
Authors:Lam, R, Singer, A.U, Cuff, M.E, Skarina, T, Kagan, O, DiLeo, R, Edwards, A.M, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2008-03-14
Release date:2008-03-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structure of the Shigella T3SS effector IpaH defines a new class of E3 ubiquitin ligases.
Nat.Struct.Mol.Biol., 15, 2008
8STM
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BU of 8stm by Molmil
Crystal structure of KRAS-G75A mutant, GDP-bound
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Tran, T.H, Dharmaiah, S, Simanshu, D.K.
Deposit date:2023-05-10
Release date:2023-08-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Allosteric Regulation of Switch-II Domain Controls KRAS Oncogenicity.
Cancer Res., 83, 2023
6E5Y
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BU of 6e5y by Molmil
1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase from Bordetella pertussis in Complex with AMP.
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Argininosuccinate synthase, ...
Authors:Minasov, G, Shuvalova, L, Dubrovska, I, Cardona-Correa, A, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2018-07-23
Release date:2018-08-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:1.50 Angstrom Resolution Crystal Structure of Argininosuccinate Synthase from Bordetella pertussis in Complex with AMP.
To Be Published
8SK2
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BU of 8sk2 by Molmil
X-ray structure of the NDM-4 beta-lactamase from Klebsiella pneumonia, apo form
Descriptor: 1,2-ETHANEDIOL, Metallo-beta-lactamase type 2, ZINC ION
Authors:Thoden, J.B, Holden, H.M.
Deposit date:2023-04-18
Release date:2023-08-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Characterization of a novel inhibitor for the New Delhi metallo-beta-lactamase-4: Implications for drug design and combating bacterial drug resistance.
J.Biol.Chem., 299, 2023
8SDR
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BU of 8sdr by Molmil
Crystal structure of PDC-3 beta-lactamase in complex with the boronic acid inhibitor LP-06
Descriptor: Beta-lactamase, IMIDAZOLE, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 2023
3CH1
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BU of 3ch1 by Molmil
Crystal structure of H-2Db in complex with chimeric gp100
Descriptor: Beta-2-microglobulin, GLYCEROL, H-2 class I histocompatibility antigen, ...
Authors:Badia-Martinez, D, Achour, A.
Deposit date:2008-03-06
Release date:2009-03-31
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of agonistic altered peptides for the robust induction of CTL directed towards H-2Db in complex with the melanoma-associated epitope gp100.
Cancer Res., 69, 2009
6ES8
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BU of 6es8 by Molmil
HIV capsid hexamer with IP6 ligand
Descriptor: Gag protein, INOSITOL HEXAKISPHOSPHATE
Authors:James, L.C.
Deposit date:2017-10-19
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:IP6 is an HIV pocket factor that prevents capsid collapse and promotes DNA synthesis.
Elife, 7, 2018
3CMG
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BU of 3cmg by Molmil
Crystal structure of putative beta-galactosidase from Bacteroides fragilis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Ramagopal, U.A, Rutter, M, Toro, R, Hu, S, Maletic, M, Gheyi, T, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-03-21
Release date:2008-04-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of putative beta-galactosidase from Bacteroides fragilis.
To be published
3CMW
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BU of 3cmw by Molmil
Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DTP*DT)-3'), MAGNESIUM ION, ...
Authors:Pavletich, N.P.
Deposit date:2008-03-24
Release date:2008-05-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanism of homologous recombination from the RecA-ssDNA/dsDNA structures.
Nature, 453, 2008
7RZD
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BU of 7rzd by Molmil
CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
Authors:Patskovsky, Y, Patskovska, L, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-08-27
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
6E59
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BU of 6e59 by Molmil
Crystal structure of the human NK1 tachykinin receptor
Descriptor: 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine, Substance-P receptor, GlgA glycogen synthase, ...
Authors:Yin, J, Clark, L, Chapman, K, Shao, Z, Borek, D, Xu, Q, Wang, J, Rosenbaum, D.M.
Deposit date:2018-07-19
Release date:2018-12-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal structure of the human NK1tachykinin receptor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3CO1
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BU of 3co1 by Molmil
Crystal structure of microtubule binding domain of human EB3
Descriptor: Microtubule-associated protein RP/EB family member 3
Authors:De Groot, C.O, Honnappa, S, Steinmetz, M.O.
Deposit date:2008-03-27
Release date:2009-03-17
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mammalian end binding proteins control persistent microtubule growth.
J.Cell Biol., 2009
7S8A
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BU of 7s8a by Molmil
STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE, CUBIC CRYSTAL FORM
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, ACETATE ION, Beta-2-microglobulin, ...
Authors:Patskovska, L, Patskovsky, Y, Nyovanie, S, Natarajan, A, Joshi, B, Morin, B, Brittsan, C, Huber, O, Gordon, S, Michelet, X, Schmitzberger, F, Stein, R, Findeis, M, Hurwitz, A, Van Dijk, M, Buell, J, Underwood, D, Krogsgaard, M.
Deposit date:2021-09-17
Release date:2022-11-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of phosphopeptide neoantigen immunogenicity.
Nat Commun, 14, 2023
8SDV
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BU of 8sdv by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor S02030
Descriptor: 1-{(2R)-2-(dihydroxyboranyl)-2-[(thiophen-2-ylacetyl)amino]ethyl}-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, DIMETHYL SULFOXIDE, ...
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
3CI3
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BU of 3ci3 by Molmil
Structure of the PduO-type ATP:co(I)rrinoid adenosyltransferase from Lactobacillus reuteri complexed with partial adenosylcobalamin and PPPi
Descriptor: 5'-DEOXYADENOSINE, COBALAMIN, Cobalamin adenosyltransferase PduO-like protein, ...
Authors:Maurice, M.St, Mera, P.E, Escalante-Semerena, J.C, Rayment, I.
Deposit date:2008-03-10
Release date:2008-05-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Structural characterization of a human-type corrinoid adenosyltransferase confirms that coenzyme B12 is synthesized through a four-coordinate intermediate.
Biochemistry, 47, 2008
8SDN
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BU of 8sdn by Molmil
Crystal structure of PDC-3 Y221H beta-lactamase
Descriptor: Beta-lactamase, ISOPROPYL ALCOHOL
Authors:Kumar, V, van den Akker, F.
Deposit date:2023-04-07
Release date:2023-08-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Natural protein engineering in the Omega-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas -derived cephalosporinase.
Antimicrob.Agents Chemother., 67, 2023
6E5M
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BU of 6e5m by Molmil
Crystallographic structure of the cyclic nonapeptide derived from the BTCI inhibitor bound to beta-trypsin in space group P 32 2 1
Descriptor: 9MER-PEPTIDE, CALCIUM ION, Cationic trypsin, ...
Authors:Fernandes, J.C, Valadares, N.F, Freitas, S.M, Barbosa, J.A.R.G.
Deposit date:2018-07-20
Release date:2019-03-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.612 Å)
Cite:Crystallographic structure of a complex between trypsin and a nonapeptide derived from a Bowman-Birk inhibitor found in Vigna unguiculata seeds.
Arch. Biochem. Biophys., 665, 2019
3CIF
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BU of 3cif by Molmil
Crystal Structure of C153S mutant glyceraldehyde 3-phosphate dehydrogenase from Cryptosporidium parvum
Descriptor: GLYCERALDEHYDE-3-PHOSPHATE, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase, ...
Authors:Cook, W.J, Senkovich, O, Chattopadhyay, D.
Deposit date:2008-03-11
Release date:2009-03-24
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:An unexpected phosphate binding site in Glyceraldehyde 3-Phosphate Dehydrogenase: Crystal structures of apo, holo and ternary complex of Cryptosporidium parvum enzyme
BMC STRUCT.BIOL., 9, 2009

224004

数据于2024-08-21公开中

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