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3KJ1
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BU of 3kj1 by Molmil
Mcl-1 in complex with Bim BH3 mutant I2dA
Descriptor: ACETATE ION, Bcl-2-like protein 11, CHLORIDE ION, ...
Authors:Fire, E, Grant, R.A, Keating, A.E.
Deposit date:2009-11-02
Release date:2010-02-16
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.945 Å)
Cite:Mcl-1-Bim complexes accommodate surprising point mutations via minor structural changes.
Protein Sci., 19, 2010
3KB7
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BU of 3kb7 by Molmil
Crystal structure of Polo-like kinase 1 in complex with a pyrazoloquinazoline inhibitor
Descriptor: 8-{[2-methoxy-5-(4-methylpiperazin-1-yl)phenyl]amino}-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide, L(+)-TARTARIC ACID, Serine/threonine-protein kinase PLK1, ...
Authors:Bossi, R.T, Bertrand, J.A.
Deposit date:2009-10-20
Release date:2010-05-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Identification of 4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline derivatives as a new class of orally and selective Polo-like kinase 1 inhibitors
J.Med.Chem., 53, 2010
3KJT
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BU of 3kjt by Molmil
Stimulation of the maltose transporter by a mutant sucrose binding protein gives insights into ABC transporter coupling
Descriptor: Maltose-binding periplasmic protein
Authors:Gould, A.D, Shilton, B.H.
Deposit date:2009-11-03
Release date:2010-02-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Studies of the maltose transport system reveal a mechanism for coupling ATP hydrolysis to substrate translocation without direct recognition of substrate.
J.Biol.Chem., 285, 2010
5TO7
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BU of 5to7 by Molmil
Structure of the TPR oligomerization domain
Descriptor: Nucleoprotein TPR
Authors:Pal, K, Xu, Q, Zhou, X.E, Melcher, K, Xu, H.E.
Deposit date:2016-10-16
Release date:2017-10-18
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis of TPR-Mediated Oligomerization and Activation of Oncogenic Fusion Kinases.
Structure, 25, 2017
6EVV
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BU of 6evv by Molmil
X-ray structure of the complex between human alpha thrombin and NU172, a duplex/quadruplex 26-mer DNA aptamer, in the presence of potassium ions.
Descriptor: D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide, GLYCEROL, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[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:Troisi, R, Russo Krauss, I, Sica, F.
Deposit date:2017-11-02
Release date:2018-10-24
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Several structural motifs cooperate in determining the highly effective anti-thrombin activity of NU172 aptamer.
Nucleic Acids Res., 46, 2018
3KKE
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BU of 3kke by Molmil
Crystal structure of a LacI family transcriptional regulator from Mycobacterium smegmatis
Descriptor: ACETATE ION, LacI family Transcriptional regulator
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Do, J, Ozyurt, S, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-11-05
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a LacI family transcriptional regulator from Mycobacterium smegmatis
To be Published
5J44
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BU of 5j44 by Molmil
Crystal structure of the Secreted Extracellular protein A (SepA) from Shigella flexneri
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Serine protease SepA autotransporter
Authors:Birtley, J.R, Stern, L.J, McCormick, B, Maldonado-Contreras, A.
Deposit date:2016-03-31
Release date:2017-04-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.912 Å)
Cite:Shigella depends on SepA to destabilize the intestinal epithelial integrity via cofilin activation.
Gut Microbes, 8, 2017
3KKV
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BU of 3kkv by Molmil
Structure of PKA with a protein Kinase B-selective inhibitor.
Descriptor: (2S)-1-{[6-furan-3-yl-5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy}-3-(1H-indol-3-yl)propan-2-amine, PKI kinase inhibitor, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Elkins, P.A, Concha, N.O.
Deposit date:2009-11-06
Release date:2010-12-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of PKA with a protein Kinase B-selective inhibitor.
To be Published
3KLD
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BU of 3kld by Molmil
PTPRG CNTN4 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Contactin 4, Receptor-type tyrosine-protein phosphatase gamma
Authors:Bouyain, S.
Deposit date:2009-11-07
Release date:2009-12-22
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:The protein tyrosine phosphatases PTPRZ and PTPRG bind to distinct members of the contactin family of neural recognition molecules.
Proc.Natl.Acad.Sci.USA, 107, 2010
5TE3
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BU of 5te3 by Molmil
Crystal structure of Bos taurus opsin at 2.7 Angstrom
Descriptor: PALMITIC ACID, Rhodopsin, SULFATE ION, ...
Authors:Gulati, S, Kiser, P.D, Palczewski, K.
Deposit date:2016-09-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Photocyclic behavior of rhodopsin induced by an atypical isomerization mechanism.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3KLK
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BU of 3klk by Molmil
Crystal structure of Lactobacillus reuteri N-terminally truncated glucansucrase GTF180 in triclinic apo- form
Descriptor: CALCIUM ION, GLYCEROL, Glucansucrase
Authors:Vujicic-Zagar, A, Pijning, T, Kralj, S, Eeuwema, W, Dijkhuizen, L, Dijkstra, B.W.
Deposit date:2009-11-08
Release date:2010-11-03
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of a 117 kDa glucansucrase fragment provides insight into evolution and product specificity of GH70 enzymes
Proc.Natl.Acad.Sci.USA, 107, 2010
5TE5
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BU of 5te5 by Molmil
Crystal structure of Bos taurus opsin regenerated with 6-carbon ring retinal chromophore
Descriptor: (2E)-{(4E)-4-[(3E)-4-(2,6,6-trimethylcyclohex-1-en-1-yl)but-3-en-2-ylidene]cyclohex-2-en-1-ylidene}acetaldehyde, Rhodopsin
Authors:Gulati, S, Banerjee, S, Katayama, K, Kiser, P.D, Palczewski, K.
Deposit date:2016-09-20
Release date:2017-03-15
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Photocyclic behavior of rhodopsin induced by an atypical isomerization mechanism.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3KFF
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BU of 3kff by Molmil
Major mouse urinary protein IV complexed with 2-sec-butyl-4,5-dihydrothiazole
Descriptor: 2-[(1R)-1-methylpropyl]-4,5-dihydro-1,3-thiazole, 2-[(1S)-1-methylpropyl]-4,5-dihydro-1,3-thiazole, CHLORIDE ION, ...
Authors:Perez-Miller, S, Zou, Q, Hurley, T.D.
Deposit date:2009-10-27
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.96 Å)
Cite:High resolution X-ray structures of mouse major urinary protein nasal isoform in complex with pheromones.
Protein Sci., 19, 2010
3KYJ
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BU of 3kyj by Molmil
Crystal structure of the P1 domain of CheA3 in complex with CheY6 from R. sphaeroides
Descriptor: CheY6 protein, Putative histidine protein kinase, SODIUM ION
Authors:Bell, C.H, Porter, S.L, Armitage, J.P, Stuart, D.I.
Deposit date:2009-12-06
Release date:2010-02-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Using structural information to change the phosphotransfer specificity of a two-component chemotaxis signalling complex
Plos Biol., 8, 2010
3KGQ
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BU of 3kgq by Molmil
Carboxypeptidase A liganded to an organic small-molecule: conformational changes
Descriptor: ACETONE, CITRIC ACID, Carboxypeptidase A1, ...
Authors:Fernandez, D, Boix, E, Pallares, I, Aviles, F.X, Vendrell, J.
Deposit date:2009-10-29
Release date:2010-10-27
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural and Functional Analysis of the Complex between Citrate and the Zinc Peptidase Carboxypeptidase A
Enzyme Res, 2011, 2011
3KGZ
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BU of 3kgz by Molmil
Crystal structure of a cupin 2 conserved barrel domain protein from Rhodopseudomonas palustris
Descriptor: Cupin 2 conserved barrel domain protein, MANGANESE (II) ION
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Do, J, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-10-29
Release date:2009-11-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of a cupin 2 conserved barrel domain protein from Rhodopseudomonas palustris
To be Published
3KH4
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BU of 3kh4 by Molmil
Crystal structure of human Cu/Zn superoxide dismutase recombinantly produced in Leishmania tarantolae; P6522 crystal form containing 6 chains in the asymmetric unit
Descriptor: COPPER (II) ION, Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Gazdag, E.M, Blankenfeldt, W.
Deposit date:2009-10-30
Release date:2010-08-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Purification and crystallization of human Cu/Zn superoxide dismutase recombinantly produced in the protozoan Leishmania tarentolae.
Acta Crystallogr.,Sect.F, 66, 2010
3KZ0
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BU of 3kz0 by Molmil
MCL-1 complex with MCL-1-specific selected peptide
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 specific peptide MB7, SULFATE ION, ...
Authors:Dutta, S, Fire, E, Grant, R.A, Sauer, R.T, Keating, A.E.
Deposit date:2009-12-07
Release date:2010-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.349 Å)
Cite:Determinants of BH3 binding specificity for Mcl-1 versus Bcl-xL.
J.Mol.Biol., 398, 2010
3L02
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BU of 3l02 by Molmil
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92A mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline
Descriptor: N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
Authors:Shi, D, Yu, X, Allewell, N.M, Tuchman, M.
Deposit date:2009-12-09
Release date:2010-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
3KHN
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BU of 3khn by Molmil
Crystal structure of putative MotB like protein DVU_2228 from Desulfovibrio vulgaris.
Descriptor: MotB protein, putative
Authors:Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-10-30
Release date:2009-12-01
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal structure of putative MotB like protein DVU_2228 from Desulfovibrio vulgaris
To be Published
3KIN
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BU of 3kin by Molmil
KINESIN (DIMERIC) FROM RATTUS NORVEGICUS
Descriptor: ADENOSINE-5'-DIPHOSPHATE, KINESIN HEAVY CHAIN
Authors:Kozielski, F, Sack, S, Marx, A, Thormahlen, M, Schonbrunn, E, Biou, V, Thompson, A, Mandelkow, E.-M, Mandelkow, E.
Deposit date:1997-08-25
Release date:1998-10-14
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:The crystal structure of dimeric kinesin and implications for microtubule-dependent motility.
Cell(Cambridge,Mass.), 91, 1997
3L0A
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BU of 3l0a by Molmil
Crystal structure of Putative exonuclease (RER070207002219) from Eubacterium rectale at 2.19 A resolution
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Putative exonuclease, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-12-09
Release date:2010-01-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal structure of Putative exonuclease (RER070207002219) from Eubacterium rectale at 2.19 A resolution
To be published
3L15
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BU of 3l15 by Molmil
Human Tead2 transcriptional factor
Descriptor: GLYCEROL, Transcriptional enhancer factor TEF-4
Authors:Tomchick, D.R, Luo, X, Tian, W.
Deposit date:2009-12-10
Release date:2010-04-07
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional analysis of the YAP-binding domain of human TEAD2.
Proc.Natl.Acad.Sci.USA, 107, 2010
2R1V
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BU of 2r1v by Molmil
Norepinephrine quinone conjugation to DJ-1
Descriptor: DJ-1
Authors:Zhongtao, Z, Yue, F.
Deposit date:2007-08-23
Release date:2008-08-26
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:DJ-1 activation by catechol quinone conjugation
To be Published
3KAZ
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BU of 3kaz by Molmil
Crystal structure of abscisic acid receptor PYL2
Descriptor: 1,3-BUTANEDIOL, Putative uncharacterized protein At2g26040
Authors:Zhou, X.E, Melcher, K, Ng, L.-M, Soon, F.-F, Xu, Y, Suino-Powell, K.M, Kovach, A, Li, J, Xu, H.E.
Deposit date:2009-10-19
Release date:2009-12-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Agate-latch-lock mechanism for hormone signalling by abscisic acid receptors
Nature, 462, 2009

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