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5AH4
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BU of 5ah4 by Molmil
The sliding clamp of Mycobacterium smegmatis in complex with a natural product.
Descriptor: CYCLOHEXYL GRISELIMYCIN, DNA POLYMERASE III SUBUNIT BETA, SODIUM ION
Authors:Lukat, P, Kling, A, Heinz, D.W, Mueller, R.
Deposit date:2015-02-04
Release date:2015-06-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.313 Å)
Cite:Antibiotics. Targeting Dnan for Tuberculosis Therapy Using Novel Griselimycins.
Science, 348, 2015
6ZRD
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BU of 6zrd by Molmil
STRUCTURE OF THE HUMAN RBAP48 in complex with a macrocyclic peptide cyclized via a xylene linker attached to two cysteines
Descriptor: 1,3,5-trimethylbenzene, Histone-binding protein RBBP4, macrocyclic peptide based on residues 659-672 of the metastasis-associated protein MTA1
Authors:Vetter, I.R, Porfetye, A.T.
Deposit date:2020-07-13
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure Based Design of Bicyclic Peptide Inhibitors of RbAp48.
Angew.Chem.Int.Ed.Engl., 60, 2021
1WD5
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BU of 1wd5 by Molmil
Crystal structure of TT1426 from Thermus thermophilus HB8
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, hypothetical protein TT1426
Authors:Shibata, R, Kukimoto-Niino, M, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2004-05-11
Release date:2004-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a predicted phosphoribosyltransferase (TT1426) from Thermus thermophilus HB8 at 2.01 A resolution
Protein Sci., 14, 2005
7PPH
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BU of 7pph by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH Compound 10
Descriptor: GLYCEROL, N-[4-[(5R)-6-oxidanylidene-5-quinolin-5-yl-5-(trifluoromethyl)-1,4-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Hillig, R.C.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7PPI
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BU of 7ppi by Molmil
Crystal STRUCTURE OF NAMPT IN COMPLEX WITH Compound 11
Descriptor: CHLORIDE ION, GLYCEROL, N-[4-[(5R)-1-(4-azanylbutyl)-6-oxidanylidene-5-quinolin-5-yl-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, ...
Authors:Hillig, R.C.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7PPE
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BU of 7ppe by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 1
Descriptor: GLYCEROL, N-[4-[(4R)-4-methyl-1-(oxan-4-yl)-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Hillig, R.C.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7PPF
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BU of 7ppf by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 8
Descriptor: 1,2-ETHANEDIOL, N-[4-[(4R)-1,4-dimethyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Hillig, R.C.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
7PPG
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BU of 7ppg by Molmil
CRYSTAL STRUCTURE OF NAMPT IN COMPLEX WITH COMPOUND 9
Descriptor: 1,2-ETHANEDIOL, N-[4-[(4R)-1-cyclopentyl-4-methyl-6-oxidanylidene-4,5-dihydropyridazin-3-yl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Hillig, R.C.
Deposit date:2021-09-13
Release date:2022-06-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:A Novel NAMPT Inhibitor-Based Antibody-Drug Conjugate Payload Class for Cancer Therapy.
Bioconjug.Chem., 33, 2022
1YJI
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BU of 1yji by Molmil
RDC-refined Solution NMR structure of reduced putidaredoxin
Descriptor: FE2/S2 (INORGANIC) CLUSTER, Putidaredoxin
Authors:Jain, N.U, Tjioe, E, Savidor, A, Boulie, J.
Deposit date:2005-01-14
Release date:2005-06-28
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Redox-dependent structural differences in putidaredoxin derived from homologous structure refinement via residual dipolar couplings.
Biochemistry, 44, 2005
1PLG
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BU of 1plg by Molmil
EVIDENCE FOR THE EXTENDED HELICAL NATURE OF POLYSACCHARIDE EPITOPES. THE 2.8 ANGSTROMS RESOLUTION STRUCTURE AND THERMODYNAMICS OF LIGAND BINDING OF AN ANTIGEN BINDING FRAGMENT SPECIFIC FOR ALPHA-(2->8)-POLYSIALIC ACID
Descriptor: IGG2A=KAPPA=
Authors:Evans, S.V, Sigurskjold, B.W, Jennings, H.J, Brisson, J.-R, Tse, W.C, To, R, Altman, E, Frosch, M, Weisgerber, C, Kratzin, H, Klebert, S, Vaesen, M, Bitter-Suermann, D, Rose, D.R, Young, N.M, Bundle, D.R.
Deposit date:1995-04-24
Release date:1996-04-03
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Evidence for the extended helical nature of polysaccharide epitopes. The 2.8 A resolution structure and thermodynamics of ligand binding of an antigen binding fragment specific for alpha-(2-->8)-polysialic acid.
Biochemistry, 34, 1995
1ZVQ
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BU of 1zvq by Molmil
Structure of the Q61G mutant of Ras in the GDP-bound form
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Transforming protein p21/H-Ras-1
Authors:Ford, B, Nassar, N.
Deposit date:2005-06-02
Release date:2006-03-14
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of a transient intermediate for GTP hydrolysis by ras.
Structure, 14, 2006
2D0D
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BU of 2d0d by Molmil
Crystal Structure of a Meta-cleavage Product Hydrolase (CumD) A129V Mutant
Descriptor: 2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolase, CHLORIDE ION, PHOSPHATE ION
Authors:Jun, S.Y, Fushinobu, S, Nojiri, H, Omori, T, Shoun, H, Wakagi, T.
Deposit date:2005-08-01
Release date:2006-06-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Improving the catalytic efficiency of a meta-cleavage product hydrolase (CumD) from Pseudomonas fluorescens IP01
Biochim.Biophys.Acta, 1764, 2006
8ARU
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BU of 8aru by Molmil
Crystal Structure of human formylglycine generating enzyme
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Formylglycine-generating enzyme
Authors:Neumann, P, Dickmanns, A, Ficner, R, Rudolph, M.G.
Deposit date:2022-08-17
Release date:2023-08-23
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Crystal Structure of human formylglycine generating enzyme E130A mutant
To be published
2IJE
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BU of 2ije by Molmil
Crystal Structure of the Cdc25 domain of RasGRF1
Descriptor: GLYCEROL, Guanine nucleotide-releasing protein
Authors:Freedman, T.S, Kuriyan, J.
Deposit date:2006-09-29
Release date:2006-10-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Ras-induced conformational switch in the Ras activator Son of sevenless.
Proc.Natl.Acad.Sci.Usa, 103, 2006
4F38
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BU of 4f38 by Molmil
Crystal structure of geranylgeranylated RhoA in complex with RhoGDI in its active GPPNHP-bound form
Descriptor: GERAN-8-YL GERAN, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Guo, Z, Tnimov, Z, Alexandrov, K.
Deposit date:2012-05-09
Release date:2012-05-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Quantitative Analysis of Prenylated RhoA Interaction with Its Chaperone, RhoGDI.
J.Biol.Chem., 287, 2012
4FBW
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BU of 4fbw by Molmil
Crystal structure of an unfused Mre11-Nbs1 complex with two manganese ions per active site
Descriptor: DNA repair and telomere maintenance protein nbs1, DNA repair protein rad32, MANGANESE (II) ION
Authors:Schiller, C.B, Lammens, K, Hopfner, K.P.
Deposit date:2012-05-23
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of Mre11-Nbs1 complex yields insights into ataxia-telangiectasia-like disease mutations and DNA damage signaling.
Nat.Struct.Mol.Biol., 19, 2012
4N4V
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BU of 4n4v by Molmil
Co-crystal structure of tankyrase 1 with compound 4 [(4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]
Descriptor: (4S)-3-{trans-4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]cyclohexyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-10-08
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
1DMJ
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BU of 1dmj by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 5,6-CYCLIC-TETRAHYDROPTERIDINE
Descriptor: 7-AMINO-3,3A,4,5-TETRAHYDRO-8H-2-OXA-5,6,8,9B-TETRAAZA-CYCLOPENTA[A]NAPHTHALENE-1,9-DIONE, ACETATE ION, CACODYLATE ION, ...
Authors:Kotsonis, P, Frohlich, L.G, Raman, C.S, Li, H, Berg, M, Gerwig, R, Groehn, V, Kang, Y, Al-Masoudi, N, Taghavi-Moghadam, S, Mohr, D, Munch, U, Schnabel, J, Martasek, P, Masters, B.S, Strobel, H, Poulos, T, Matter, H, Pfleiderer, W, Schmidt, H.H.
Deposit date:1999-12-14
Release date:2000-12-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis for pterin antagonism in nitric-oxide synthase. Development of novel 4-oxo-pteridine antagonists of (6R)-5,6,7,8-tetrahydrobiopterin
J.Biol.Chem., 276, 2001
4N4T
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BU of 4n4t by Molmil
Co-crystal structure of tankyrase 1 with compound 3 [(4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one]
Descriptor: (4S)-3-{4-[6-amino-5-(pyrimidin-2-yl)pyridin-3-yl]phenyl}-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-10-08
Release date:2013-12-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.315 Å)
Cite:Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors.
ACS Med Chem Lett, 4, 2013
1C1Y
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BU of 1c1y by Molmil
CRYSTAL STRUCTURE OF RAP.GMPPNP IN COMPLEX WITH THE RAS-BINDING-DOMAIN OF C-RAF1 KINASE (RAFRBD).
Descriptor: CALCIUM ION, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Nassar, N.
Deposit date:1999-07-22
Release date:1999-08-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The 2.2 A crystal structure of the Ras-binding domain of the serine/threonine kinase c-Raf1 in complex with Rap1A and a GTP analogue.
Nature, 375, 1995
4FBQ
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BU of 4fbq by Molmil
Crystal structure of a covalently fused Nbs1-Mre11 complex with two manganese ions per active site
Descriptor: DNA repair and telomere maintenance protein nbs1,DNA repair protein rad32 CHIMERIC PROTEIN, MANGANESE (II) ION
Authors:Schiller, C.B, Lammens, K, Hopfner, K.P.
Deposit date:2012-05-23
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure of Mre11-Nbs1 complex yields insights into ataxia-telangiectasia-like disease mutations and DNA damage signaling.
Nat.Struct.Mol.Biol., 19, 2012
1BMP
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BU of 1bmp by Molmil
BONE MORPHOGENETIC PROTEIN-7
Descriptor: BONE MORPHOGENETIC PROTEIN-7
Authors:Griffith, D.L, Scott, D.L.
Deposit date:1995-12-14
Release date:1997-07-23
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Three-dimensional structure of recombinant human osteogenic protein 1: structural paradigm for the transforming growth factor beta superfamily.
Proc.Natl.Acad.Sci.USA, 93, 1996
4FCX
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BU of 4fcx by Molmil
S.pombe Mre11 apoenzym
Descriptor: DNA repair protein rad32, MANGANESE (II) ION
Authors:Schiller, C.B, Lammens, K, Hopfner, K.P.
Deposit date:2012-05-25
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure of Mre11-Nbs1 complex yields insights into ataxia-telangiectasia-like disease mutations and DNA damage signaling.
Nat.Struct.Mol.Biol., 19, 2012
4FBK
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BU of 4fbk by Molmil
Crystal structure of a covalently fused Nbs1-Mre11 complex with one manganese ion per active site
Descriptor: DNA repair and telomere maintenance protein nbs1,DNA repair protein rad32 CHIMERIC PROTEIN, MANGANESE (II) ION, SULFATE ION
Authors:Schiller, C.B, Lammens, K, Hopfner, K.P.
Deposit date:2012-05-23
Release date:2012-06-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.379 Å)
Cite:Structure of Mre11-Nbs1 complex yields insights into ataxia-telangiectasia-like disease mutations and DNA damage signaling.
Nat.Struct.Mol.Biol., 19, 2012
1L6U
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BU of 1l6u by Molmil
NMR STRUCTURE OF OXIDIZED ADRENODOXIN
Descriptor: Adrenodoxin 1, FE2/S2 (INORGANIC) CLUSTER
Authors:Beilke, D, Weiss, R, Lohr, F, Pristovsek, P, Hannemann, F, Bernhardt, R, Rueterjans, H.
Deposit date:2002-03-14
Release date:2002-06-26
Last modified:2020-02-05
Method:SOLUTION NMR
Cite:A new electron transport mechanism in mitochondrial steroid hydroxylase systems based on structural changes upon the reduction of adrenodoxin.
Biochemistry, 41, 2002

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