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4P81
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BU of 4p81 by Molmil
Structure of ancestral PyrR protein (AncORANGEPyrR)
Descriptor: Ancestral PyrR protein (Orange), GLYCEROL, SULFATE ION
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-29
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
1GQY
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BU of 1gqy by Molmil
MURC - CRYSTAL STRUCTURE OF THE ENZYME FROM HAEMOPHILUS INFLUENZAE COMPLEXED WITH AMPPCP
Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, UDP-N-ACETYLMURAMATE-L-ALANINE LIGASE
Authors:Skarzynski, T, Cleasby, A, Domenici, E, Gevi, M, Shaw, J.
Deposit date:2001-12-06
Release date:2003-06-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Udp-N-Acetylmuramate-L-Alanine Ligase (Murc) from Haemophilus Influenzae
To be Published
1A1A
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BU of 1a1a by Molmil
C-SRC (SH2 DOMAIN WITH C188A MUTATION) COMPLEXED WITH ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor: ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
Authors:Shewchuk, L, Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
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
4P3K
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BU of 4p3k by Molmil
Structure of ancestral PyrR protein (PLUMPyrR)
Descriptor: Ancestral PyrR protein (Plum), PENTAETHYLENE GLYCOL, SODIUM ION, ...
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-08
Release date:2014-12-17
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
2ESK
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BU of 2esk by Molmil
Human Ubiquitin-Conjugating Enzyme (E2) UbcH5b, wild-type
Descriptor: Ubiquitin-conjugating enzyme E2 D2
Authors:Ozkan, E, Yu, H, Deisenhofer, J.
Deposit date:2005-10-26
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Mechanistic insight into the allosteric activation of a ubiquitin-conjugating enzyme by RING-type ubiquitin ligases
Proc.Natl.Acad.Sci.Usa, 102, 2005
3LEN
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BU of 3len by Molmil
Human Aldose Reductase mutant T113S complexed with Zopolrestat
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Koch, C, Heine, A, Klebe, G.
Deposit date:2010-01-15
Release date:2011-01-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase
Biochim.Biophys.Acta, 1810, 2011
6MV6
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BU of 6mv6 by Molmil
Crystal structure of RNAse 6
Descriptor: PHOSPHATE ION, Ribonuclease K6
Authors:Couture, J.-F, Doucet, N.
Deposit date:2018-10-24
Release date:2019-11-13
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Insights into Structural and Dynamical Changes Experienced by Human RNase 6 upon Ligand Binding.
Biochemistry, 59, 2020
1A09
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BU of 1a09 by Molmil
C-src (SH2 domain) complexed with ace-formyl phosphotyr-glu-(n,n-dipentyl amine)
Descriptor: ACE-FORMYL PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
Authors:Shewchuk, L, Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
6MW8
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BU of 6mw8 by Molmil
UDP-galactose:glucoside-Skp1 alpha-D-galactosyltransferase with bound UDP and Manganese
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, MANGANESE (II) ION, ...
Authors:Kim, H.W, Wood, Z.A, West, C.M.
Deposit date:2018-10-29
Release date:2019-10-09
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.756 Å)
Cite:A terminal alpha 3-galactose modification regulates an E3 ubiquitin ligase subunit in Toxoplasma gondii .
J.Biol.Chem., 295, 2020
1A1E
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BU of 1a1e by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(3-BUTYLPIPERIDINE)
Descriptor: ACE-PHOSPHOTYR-GLU-(3-BUTYLPIPERIDINE), C-SRC TYROSINE KINASE
Authors:Shewchuk, L, Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
5L23
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BU of 5l23 by Molmil
Crystal structure of the complex between the N-terminal SH3 domain of CrkII and a proline-rich ligand
Descriptor: Adapter molecule crk, C3G derived peptide, DI(HYDROXYETHYL)ETHER
Authors:Bhatt, V.S, Krieger, I, Sacchettini, J, Cho, J.-H.
Deposit date:2016-07-30
Release date:2016-09-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of the complex between the N-terminal SH3 domain of CrkII and a proline-rich ligand
To Be Published
5F3K
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BU of 5f3k by Molmil
X-Ray Crystallographic Structure of hTrap1 N-terminal Domain-apo
Descriptor: Heat shock protein 75 kDa, mitochondrial
Authors:Sung, N, Lee, J, Kim, J, Chang, C, Joachimiak, A, Lee, S, Tsai, F.T.F.
Deposit date:2015-12-02
Release date:2016-03-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Mitochondrial Hsp90 is a ligand-activated molecular chaperone coupling ATP binding to dimer closure through a coiled-coil intermediate.
Proc.Natl.Acad.Sci.USA, 113, 2016
5INI
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BU of 5ini by Molmil
Structural basis for acyl-CoA carboxylase-mediated assembly of unusual polyketide synthase extender units incorporated into the stambomycin antibiotics
Descriptor: HEXANOYL-COENZYME A, Putative carboxyl transferase
Authors:Valentic, T.R, Ray, L, Miyazawa, T, Withall, D.M, Song, L, Milligan, J.C, Osada, H, Tsai, S.C, Challis, G.L.
Deposit date:2016-03-07
Release date:2016-12-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:A crotonyl-CoA reductase-carboxylase independent pathway for assembly of unusual alkylmalonyl-CoA polyketide synthase extender units.
Nat Commun, 7, 2016
1A1B
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BU of 1a1b by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor: ACE-PHOSPHOTYR-GLU-(N,N-DIPENTYL AMINE), C-SRC TYROSINE KINASE
Authors:Shewchuk, L, Jordan, S.
Deposit date:1997-12-10
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
3MC5
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BU of 3mc5 by Molmil
Human Aldose Reductase mutant T113V in complex with IDD393 crystallized in spacegroup P1
Descriptor: (5-CHLORO-2-{[(3-NITROBENZYL)AMINO]CARBONYL}PHENOXY)ACETIC ACID, Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Koch, C, Heine, A, Klebe, G.
Deposit date:2010-03-27
Release date:2011-03-09
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Ligand-induced fit affects binding modes and provokes changes in crystal packing of aldose reductase
Biochim.Biophys.Acta, 1810, 2011
2VTD
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BU of 2vtd by Molmil
Crystal structure of MurD ligase in complex with D-Glu containing sulfonamide inhibitor
Descriptor: N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID, SULFATE ION, UDP-N-ACETYLMURAMOYLALANINE--D-GLUTAMATE LIGASE
Authors:Humljan, J, Kotnik, M, Contreras-Martel, C, Blanot, D, Urleb, U, Dessen, A, Solmajer, T, Gobec, S.
Deposit date:2008-05-14
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Novel naphthalene-N-sulfonyl-D-glutamic acid derivatives as inhibitors of MurD, a key peptidoglycan biosynthesis enzyme.
J. Med. Chem., 51, 2008
4AC8
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BU of 4ac8 by Molmil
R2-like ligand binding Mn-Fe oxidase from M. tuberculosis with an organized C-terminal helix
Descriptor: CALCIUM ION, FE (III) ION, GLYCEROL, ...
Authors:Andersson, C.S, Berthold, C.L, Hogbom, M.
Deposit date:2011-12-14
Release date:2012-09-26
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:A Dynamic C-Terminal Segment in the Mycobacterium Tuberculosis Mn/Fe R2Lox Protein Can Adopt a Helical Structure with Possible Functional Consequences.
Chem.Biodivers., 9, 2012
1A1C
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BU of 1a1c by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-PHOSPHOTYR-GLU-(N-ME(-(CH2)3-CYCLOPENTYL))
Descriptor: ACE-PHOSPHOTYR-GLU-(N-ME(-(CH2)3-CYCLOPENTYL)), C-SRC TYROSINE KINASE
Authors:Shewchuk, L, Jordan, S.
Deposit date:1997-12-10
Release date:1998-04-08
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study.
Biochemistry, 36, 1997
6PTY
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BU of 6pty by Molmil
Soluble model of human CuA (Tt3Lh)
Descriptor: Cytochrome c oxidase subunit 2, DINUCLEAR COPPER ION, GLYCEROL, ...
Authors:Giannini, E, Lisa, M.N, Morgada, M.N, Alzari, P.M, Vila, A.J.
Deposit date:2019-07-16
Release date:2019-11-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Unexpected electron spin density on the axial methionine ligand in CuAsuggests its involvement in electron pathways.
Chem.Commun.(Camb.), 56, 2020
1A07
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BU of 1a07 by Molmil
C-SRC (SH2 DOMAIN) COMPLEXED WITH ACE-MALONYL TYR-GLU-(N,N-DIPENTYL AMINE)
Descriptor: ACE-MALONYL TYR-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
4P82
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BU of 4p82 by Molmil
Structure of PyrR protein from Bacillus subtilis
Descriptor: Bifunctional protein PyrR, SULFATE ION
Authors:Perica, T, Kondo, Y, Tiwari, S, McLaughlin, S, Steward, A, Reuter, N, Clarke, J, Teichmann, S.A.
Deposit date:2014-03-30
Release date:2014-12-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Evolution of oligomeric state through allosteric pathways that mimic ligand binding.
Science, 346, 2014
3E2B
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BU of 3e2b by Molmil
Crystal structure of Dynein Light chain LC8 in complex with a peptide derived from Swallow
Descriptor: ACETATE ION, Dynein light chain 1, cytoplasmic, ...
Authors:Benison, G, Barbar, E, Karplus, P.A.
Deposit date:2008-08-05
Release date:2008-08-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:The interplay of ligand binding and quaternary structure in the diverse interactions of dynein light chain LC8.
J.Mol.Biol., 384, 2008
4RVK
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BU of 4rvk by Molmil
CHK1 kinase domain with diazacarbazole compound 8: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide
Descriptor: N-[3-(6-cyano-9H-pyrrolo[2,3-b:5,4-c']dipyridin-3-yl)phenyl]acetamide, Serine/threonine-protein kinase Chk1
Authors:Wiesmann, C, Wu, P.
Deposit date:2014-11-26
Release date:2015-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1.
J.Med.Chem., 58, 2015
1GQQ
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BU of 1gqq by Molmil
MURC - Crystal structure of the apo-enzyme from Haemophilus influenzae
Descriptor: UDP-N-ACETYLMURAMATE-L-ALANINE LIGASE
Authors:Skarzynski, T, Cleasby, A, Domenici, E, Gevi, M, Shaw, J.
Deposit date:2001-12-03
Release date:2003-06-15
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystal Structures of Udp-N-Acetylmuramate-L-Alanine Ligase (Murc) from Haemophilus Influenzae
To be Published

238582

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