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2JGW
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BU of 2jgw by Molmil
Structure of CCP module 7 of complement factor H - The AMD at risk varient (402H)
Descriptor: COMPLEMENT FACTOR H
Authors:Herbert, A.P, Deakin, J.A, Schmidt, C.Q, Blaum, B.S, Egan, C, Ferreira, V.P, Pangburn, M.K, Lyon, M, Uhrin, D, Barlow, P.N.
Deposit date:2007-02-16
Release date:2007-03-20
Last modified:2018-05-02
Method:SOLUTION NMR
Cite:Structure shows that a glycosaminoglycan and protein recognition site in factor H is perturbed by age-related macular degeneration-linked single nucleotide polymorphism.
J. Biol. Chem., 282, 2007
3K1W
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BU of 3k1w by Molmil
New Classes of Potent and Bioavailable Human Renin Inhibitors
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetylamino-2-deoxy-alpha-L-idopyranose, 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide, ...
Authors:Prade, L.
Deposit date:2009-09-29
Release date:2010-03-02
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:New classes of potent and bioavailable human renin inhibitors
Bioorg.Med.Chem.Lett., 19, 2009
2JFM
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BU of 2jfm by Molmil
CRYSTAL STRUCTURE OF HUMAN STE20-LIKE KINASE (UNLIGANDED FORM)
Descriptor: 1,2-ETHANEDIOL, STE20-LIKE SERINE-THREONINE KINASE
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:2018-01-24
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Activation Segment Dimerization: A Mechanism for Kinase Autophosphorylation of Non-Consensus Sites.
Embo J., 27, 2008
2JWT
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BU of 2jwt by Molmil
Solution structure of Engrailed homeodomain WT
Descriptor: Segmentation polarity homeobox protein engrailed
Authors:Religa, T.L.
Deposit date:2007-10-24
Release date:2008-04-01
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Comparison of multiple crystal structures with NMR data for engrailed homeodomain
J.Biomol.Nmr, 40, 2008
1A90
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BU of 1a90 by Molmil
RECOMBINANT MUTANT CHICKEN EGG WHITE CYSTATIN, NMR, 31 STRUCTURES
Descriptor: CYSTATIN
Authors:Dieckmann, T, Mitschang, L, Hofmann, M, Kos, J, Turk, V, Auerswald, E.A, Jaenicke, R, Oschkinat, H.
Deposit date:1998-04-14
Release date:1998-06-17
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:The structures of native phosphorylated chicken cystatin and of a recombinant unphosphorylated variant in solution.
J.Mol.Biol., 234, 1993
3K3I
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BU of 3k3i by Molmil
p38alpha bound to novel DGF-out compound PF-00215955
Descriptor: (3S)-3-[4-(4-bromophenyl)-1H-imidazol-2-yl]-1,2,3,4-tetrahydroisoquinoline, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
Authors:Kazmirski, S.L, DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The design, synthesis and potential utility of fluorescence probes that target DFG-out conformation of p38alpha for high throughput screening binding assay.
Chem.Biol.Drug Des., 74, 2009
1AI0
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BU of 1ai0 by Molmil
R6 HUMAN INSULIN HEXAMER (NON-SYMMETRIC), NMR, 10 STRUCTURES
Descriptor: PHENOL, R6 INSULIN HEXAMER, ZINC ION
Authors:Chang, X, Jorgensen, A.M.M, Bardrum, P, Led, J.J.
Deposit date:1997-04-30
Release date:1997-11-12
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structures of the R6 human insulin hexamer.
Biochemistry, 36, 1997
3K5R
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BU of 3k5r by Molmil
Crystal Structure of mouse T-cadherin EC1 EC2
Descriptor: Cadherin 13
Authors:Shapiro, L, Ciatto, C.
Deposit date:2009-10-07
Release date:2010-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:T-cadherin structures reveal a novel adhesive binding mechanism
Nat.Struct.Mol.Biol., 17, 2010
2JS0
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BU of 2js0 by Molmil
Solution structure of second SH3 domain of adaptor Nck
Descriptor: Cytoplasmic protein NCK1
Authors:Hake, M.J, Choowongkomon, K, Carlin, C.R, Sonnichsen, F.D.
Deposit date:2007-06-29
Release date:2008-02-26
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Specificity determinants of a novel Nck interaction with the juxtamembrane domain of the epidermal growth factor receptor.
Biochemistry, 47, 2008
1A08
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BU of 1a08 by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor: ACE-DIFLUORO PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
Authors:Shewchuk, L, Jordan, S.
Deposit date:1997-12-09
Release date:1998-04-08
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
3K6D
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BU of 3k6d by Molmil
Crystal structure of Xenopus laevis T-cadherin EC1
Descriptor: T-cadherin, ZINC ION
Authors:Shapiro, L, Ciatto, C.
Deposit date:2009-10-08
Release date:2010-03-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:T-cadherin structures reveal a novel adhesive binding mechanism
Nat.Struct.Mol.Biol., 17, 2010
1A1J
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BU of 1a1j by Molmil
RADR (ZIF268 VARIANT) ZINC FINGER-DNA COMPLEX (GCGT SITE)
Descriptor: DNA (5'-D(*AP*GP*CP*GP*TP*GP*GP*GP*CP*GP*T)-3'), DNA (5'-D(*TP*AP*CP*GP*CP*CP*CP*AP*CP*GP*C)-3'), PROTEIN (RADR ZIF268 ZINC FINGER PEPTIDE), ...
Authors:Elrod-Erickson, M, Benson, T.E, Pabo, C.O.
Deposit date:1997-12-10
Release date:1998-06-17
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution structures of variant Zif268-DNA complexes: implications for understanding zinc finger-DNA recognition.
Structure, 6, 1998
7F2F
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BU of 7f2f by Molmil
The complex of DNA with the C-terminal domain of TYE7 from Saccharomyces cerevisiae.
Descriptor: DNA (5'-D(*CP*AP*GP*AP*TP*CP*AP*TP*GP*TP*GP*TP*GP*CP*C)-3'), DNA (5'-D(*GP*GP*GP*CP*AP*CP*AP*CP*AP*TP*GP*AP*TP*CP*T)-3'), Serine-rich protein TYE7
Authors:Gui, W.
Deposit date:2021-06-10
Release date:2021-10-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of the complex of DNA with the C-terminal domain of TYE7 from Saccharomyces cerevisiae.
Acta Crystallogr.,Sect.F, 77, 2021
2JXD
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BU of 2jxd by Molmil
NMR structure of human Serine protease inhibitor Kazal type II (SPINK2)
Descriptor: Serine protease inhibitor Kazal-type 2
Authors:Chen, T, Lee, T.-R, Lyu, P.-C.
Deposit date:2007-11-15
Release date:2008-11-18
Last modified:2022-03-16
Method:SOLUTION NMR
Cite:Identification of trypsin-inhibitory site and structure determination of human SPINK2 serine proteinase inhibitor
Proteins, 77, 2009
1A8G
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BU of 1a8g by Molmil
HIV-1 PROTEASE IN COMPLEX WITH SDZ283-910
Descriptor: HIV-1 PROTEASE, benzyl [(1R)-1-({(1S,2S,3S)-1-benzyl-2-hydroxy-4-({(1S)-1-[(2-hydroxy-4-methoxybenzyl)carbamoyl]-2-methylpropyl}amino)-3-[(4-methoxybenzyl)amino]-4-oxobutyl}carbamoyl)-2,2-dimethylpropyl]carbamate
Authors:Kallen, J, Billich, A, Scholz, D, Auer, M, Kungl, A.
Deposit date:1998-03-24
Release date:1998-07-15
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:X-ray structure and conformational dynamics of the HIV-1 protease in complex with the inhibitor SDZ283-910: agreement of time-resolved spectroscopy and molecular dynamics simulations.
J.Mol.Biol., 286, 1999
1A9U
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BU of 1a9u by Molmil
THE COMPLEX STRUCTURE OF THE MAP KINASE P38/SB203580
Descriptor: 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE, MAP KINASE P38
Authors:Wang, Z, Canagarajah, B, Boehm, J.C, Kassis, S, Cobb, M.H, Young, P.R, Abdel-Meguid, S, Adams, J.L, Goldsmith, E.J.
Deposit date:1998-04-10
Release date:1999-04-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of inhibitor selectivity in MAP kinases.
Structure, 6, 1998
3JVR
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BU of 3jvr by Molmil
Characterization of the Chk1 allosteric inhibitor binding site
Descriptor: (1S)-1-(1H-benzimidazol-2-yl)ethyl (3,4-dichlorophenyl)carbamate, Serine/threonine-protein kinase Chk1
Authors:Chen, P.
Deposit date:2009-09-17
Release date:2009-10-06
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Characterization of the CHK1 allosteric inhibitor binding site.
Biochemistry, 48, 2009
2JDG
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BU of 2jdg by Molmil
Affilin based on HUMAN GAMMA-B CRYSTALLIN
Descriptor: GAMMA CRYSTALLIN B
Authors:Ebersbach, H, Fiedler, E, Scheuermann, T, Fiedler, M, Stubbs, M.T, Reimann, C, Proetzel, G, Rudolph, R, Fiedler, U.
Deposit date:2007-01-08
Release date:2007-07-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Affilin-Novel Binding Molecules Based on Human Gamma-B-Crystallin, an All Beta-Sheet Protein.
J.Mol.Biol., 372, 2007
1ABO
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BU of 1abo by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX OF THE ABL TYROSINE KINASE SH3 DOMAIN WITH 3BP-1 SYNTHETIC PEPTIDE
Descriptor: 3BP-1 SYNTHETIC PEPTIDE, 10 RESIDUES, ABL TYROSINE KINASE, ...
Authors:Musacchio, A, Wilmanns, M, Saraste, M.
Deposit date:1995-05-19
Release date:1995-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution crystal structures of tyrosine kinase SH3 domains complexed with proline-rich peptides.
Nat.Struct.Biol., 1, 1994
2JK1
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BU of 2jk1 by Molmil
Crystal structure of the wild-type HupR receiver domain
Descriptor: HYDROGENASE TRANSCRIPTIONAL REGULATORY PROTEIN HUPR1, MAGNESIUM ION
Authors:Davies, K.M, Lowe, E.D, Venien-Bryan, C, Johnson, L.N.
Deposit date:2008-05-26
Release date:2008-11-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The Hupr Receiver Domain Crystal Structure in its Nonphospho and Inhibitory Phospho States.
J.Mol.Biol., 385, 2009
3JUS
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BU of 3jus by Molmil
Crystal structure of human lanosterol 14alpha-demethylase (CYP51) in complex with econazole
Descriptor: 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole, 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE, Cycloheptakis-(1-4)-(alpha-D-glucopyranose), ...
Authors:Strushkevich, N, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Usanov, S.A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-09-15
Release date:2010-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of human CYP51 inhibition by antifungal azoles.
J. Mol. Biol., 397, 2010
3JSD
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BU of 3jsd by Molmil
Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
Descriptor: CHLORIDE ION, Insulin A chain, Insulin B chain, ...
Authors:Weiss, M.A, Wan, Z.L, Dodson, E.J, Liu, M, Xu, B, Hua, Q.X, Turkenburg, M, Whittingham, J, Nakagawa, S.H, Huang, K, Hu, S.Q, Jia, W.H, Wang, S.H, Brange, J, Whittaker, J, Arvan, P, Katsoyannis, P.G, Dodson, G.G.
Deposit date:2009-09-10
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Insulin's biosynthesis and activity have opposing structural requirements: a new factor in neonatal diabetes mellitus
To be Published
1AN2
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BU of 1an2 by Molmil
RECOGNITION BY MAX OF ITS COGNATE DNA THROUGH A DIMERIC B/HLH/Z DOMAIN
Descriptor: DNA (5'-D(*GP*TP*GP*TP*AP*GP*GP*TP*CP*AP*CP*GP*TP*GP*AP*CP*C P*TP*AP*CP*AP*C)- 3'), PROTEIN (TRANSCRIPTION FACTOR MAX (TF MAX))
Authors:Ferre-D'Amare, A.R, Prendergast, G.C, Ziff, E.B, Burley, S.K.
Deposit date:1996-09-06
Release date:1997-09-17
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Recognition by Max of its cognate DNA through a dimeric b/HLH/Z domain.
Nature, 363, 1993
3K3J
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BU of 3k3j by Molmil
P38alpha bound to novel DFG-out compound PF-00416121
Descriptor: 2-(4-fluorophenyl)-3-oxo-6-pyridin-4-yl-N-[2-(trifluoromethyl)benzyl]-2,3-dihydropyridazine-4-carboxamide, 2-fluoro-4-[4-(4-fluorophenyl)-1H-pyrazol-3-yl]pyridine, Mitogen-activated protein kinase 14
Authors:Kazmirski, S.L, DiNitto, J.P.
Deposit date:2009-10-02
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.995 Å)
Cite:The Design, Synthesis and Potential Utility of Fluorescence Probes that Target DFG-out Conformation of p38alpha for High Throughput Screening Binding Assay.
Chem.Biol.Drug Des., 74, 2009
1AFK
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BU of 1afk by Molmil
CRYSTAL STRUCTURE OF RIBONUCLEASE A IN COMPLEX WITH 5'-DIPHOSPHOADENOSINE-3'-PHOSPHATE
Descriptor: 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE, RIBONUCLEASE A
Authors:Leonidas, D.D, Acharya, K.R.
Deposit date:1997-03-08
Release date:1998-03-18
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structures of ribonuclease A complexes with 5'-diphosphoadenosine 3'-phosphate and 5'-diphosphoadenosine 2'-phosphate at 1.7 A resolution.
Biochemistry, 36, 1997

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