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6QKC
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BU of 6qkc by Molmil
GluA1/2 In complex with auxiliary subunit gamma-8
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 6-nitro-2,3-bis(oxidanylidene)-1,4-dihydrobenzo[f]quinoxaline-7-sulfonamide, Glutamate receptor 1, ...
Authors:Herguedas, B, Garcia-Nafria, J, Greger, I.G.
Deposit date:2019-01-28
Release date:2019-03-27
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Architecture of the heteromeric GluA1/2 AMPA receptor in complex with the auxiliary subunit TARP gamma 8.
Science, 364, 2019
6SDZ
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BU of 6sdz by Molmil
transthyritin derived amyloid fibril from patient with hereditary V30M ATTR amyloidosis
Descriptor: Transthyretin
Authors:Fritz, G, Agarwal, S, Faendrich, M.
Deposit date:2019-07-29
Release date:2019-11-13
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:Cryo-EM structure of a transthyretin-derived amyloid fibril from a patient with hereditary ATTR amyloidosis.
Nat Commun, 10, 2019
1I8C
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BU of 1i8c by Molmil
SOLUTION STRUCTURE OF THE WATER-SOLUBLE FRAGMENT OF RAT HEPATIC APOCYTOCHROME B5
Descriptor: CYTOCHROME B5
Authors:Falzone, C.J, Wang, Y, Vu, B.C, Scott, N.L, Bhattacharya, S, Lecomte, J.T.
Deposit date:2001-03-13
Release date:2001-05-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural and dynamic perturbations induced by heme binding in cytochrome b5.
Biochemistry, 40, 2001
6Q5B
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BU of 6q5b by Molmil
OXA-48_P68A-AVI. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CARBON DIOXIDE, ...
Authors:Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.K.S, Samuelsen, O.
Deposit date:2018-12-07
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
6Q5F
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BU of 6q5f by Molmil
OXA-48_P68A-CAZ. Evolutionary trade-offs of OXA-48 mediated ceftazidime-avibactam resistance
Descriptor: 1-({(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(2-carboxypropan-2-yl)oxy]imino}acetyl]amino}-2-oxoethyl]-4-carboxy-3,6-dihydro-2H-1,3-thiazin-5-yl}methyl)pyridinium, Beta-lactamase, CHLORIDE ION, ...
Authors:Frohlich, C, Sorum, V, Thomassen, A.M, Johnsen, P.J, Leiros, H.-K.S, Samuelsen, O.
Deposit date:2018-12-08
Release date:2019-03-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:OXA-48-Mediated Ceftazidime-Avibactam Resistance Is Associated with Evolutionary Trade-Offs.
Msphere, 4, 2019
458D
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BU of 458d by Molmil
DNA MINOR-GROOVE RECOGNITION OF A TRIS-BENZIMIDAZOLE DRUG BY A NON-SELF-COMPLEMENTARY AT-RICH SEQUENCE
Descriptor: DNA (5'-D(*CP*GP*(CBR)P*AP*TP*AP*TP*TP*TP*GP*CP*G)-3'), DNA (5'-D(*CP*GP*CP*AP*AP*AP*TP*AP*TP*GP*CP*G)-3')
Authors:Aymami, J, Nunn, C.M, Neidle, S.
Deposit date:1999-03-10
Release date:1999-06-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:DNA minor groove recognition of a non-self-complementary AT-rich sequence by a tris-benzimidazole ligand.
Nucleic Acids Res., 27, 1999
4BRX
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BU of 4brx by Molmil
Focal Adhesion Kinase catalytic domain in complex with a diarylamino- 1,3,5-triazine inhibitor
Descriptor: 2-(4-(2-methoxy-4-morpholinophenylamino)-1,3,5-triazin-2-ylamino)-N-methylbenzamide, FOCAL ADHESION KINASE 1, SULFATE ION
Authors:Le Coq, J, Lietha, D.
Deposit date:2013-06-05
Release date:2013-07-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis of Novel Diarylamino-1,3,5-Triazine Derivatives as Fak Inhibitors with Anti-Angiogenic Activity.
Bioorg.Med.Chem.Lett., 23, 2013
4CB8
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BU of 4cb8 by Molmil
Structural and mutational analysis reveals that CTNNBL1 binds NLSs in a manner distinct from that of its closest armadillo-relative, karyopherin alpha
Descriptor: BETA-CATENIN-LIKE PROTEIN 1, SULFATE ION
Authors:Ganesh, K, vanMaldegem, F, Telerman, S.B, Simpson, P, Johnson, C.M, Williams, R.L, Neuberger, M.S, Rada, C.
Deposit date:2013-10-10
Release date:2013-12-04
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural and Mutational Analysis Reveals that Ctnnbl1 Binds Nlss in a Manner Distinct from that of its Closest Armadillo-Relative, Karyopherin Alpha
FEBS Lett., 588, 2014
3A5C
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BU of 3a5c by Molmil
Inter-subunit interaction and quaternary rearrangement defined by the central stalk of prokaryotic V1-ATPase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ...
Authors:Numoto, N, Hasegawa, Y, Takeda, K, Miki, K.
Deposit date:2009-08-06
Release date:2009-10-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4.51 Å)
Cite:Inter-subunit interaction and quaternary rearrangement defined by the central stalk of prokaryotic V1-ATPase
Embo Rep., 10, 2009
1T2N
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BU of 1t2n by Molmil
Structure of a thermostable triple mutant of Bacillus subtilis lipase obtained through directed evolution
Descriptor: Lipase, POTASSIUM ION
Authors:Rajakumara, E, Sankaranarayanan, R.
Deposit date:2004-04-22
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of selection and thermostability of laboratory evolved Bacillus subtilis lipase.
J.Mol.Biol., 341, 2004
1T4M
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BU of 1t4m by Molmil
STRUCTURE OF A THERMOSTABLE DOUBLE MUTANT OF BACILLUS SUBTILIS LIPASE OBTAINED THROUGH DIRECTED EVOLUTION
Descriptor: LIPASE A, POTASSIUM ION
Authors:Rajakumara, E, Sankaranarayanan, R.
Deposit date:2004-04-30
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis of selection and thermostability of laboratory evolved Bacillus subtilis lipase
J.Mol.Biol., 341, 2004
1KAL
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BU of 1kal by Molmil
ELUCIDATION OF THE PRIMARY AND THREE-DIMENSIONAL STRUCTURE OF THE UTEROTONIC POLYPEPTIDE KALATA B1
Descriptor: KALATA B1
Authors:Craik, D.J, Norman, D.G.
Deposit date:1995-01-13
Release date:1995-03-31
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Elucidation of the primary and three-dimensional structure of the uterotonic polypeptide kalata B1.
Biochemistry, 34, 1995
3WOV
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BU of 3wov by Molmil
Crystal structure of the C-terminal globular domain of oligosaccharyltransferase (PaAglB-L, Q9V250_PYRAB, PAB2202) from Pyrococcus abyssi
Descriptor: CALCIUM ION, Oligosaccharyl transferase
Authors:Matsuoka, R, Nyirenda, J, Maita, N, Kohda, D.
Deposit date:2014-01-05
Release date:2014-01-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Crystal structure of the C-terminal globular domain of oligosaccharyltransferase (PaAglB-L, Q9V250_PYRAB, PAB2202) from Pyrococcus abyssi
To be Published
3CHV
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BU of 3chv by Molmil
CRYSTAL STRUCTURE OF a prokaryotic domain of unknown function (DUF849) member (SPOA0042) FROM SILICIBACTER POMEROYI DSS-3 AT 1.45 A RESOLUTION
Descriptor: CHLORIDE ION, Prokaryotic domain of unknown function (DUF849) with a TIM barrel fold, ZINC ION
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-03-10
Release date:2008-04-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of prokaryotic domain of unknown function (DUF849) with a TIM barrel fold (YP_164873.1) from Silicibacter pomeroyi DSS-3 at 1.45 A resolution
To be published
3CZR
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BU of 3czr by Molmil
Crystal Structure of Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) in Complex with Arylsulfonylpiperazine Inhibitor
Descriptor: (2R)-1-[(4-tert-butylphenyl)sulfonyl]-2-methyl-4-(4-nitrophenyl)piperazine, 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Corticosteroid 11-beta-dehydrogenase isozyme 1, ...
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2008-04-29
Release date:2008-06-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery and Initial SAR of Arylsulfonylpiperazine Inhibitors of 11beta-Hydroxysteroid Dehydrogenase Type 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 18, 2008
1B23
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BU of 1b23 by Molmil
E. coli cysteinyl-tRNA and T. aquaticus elongation factor EF-TU:GTP ternary complex
Descriptor: CYSTEINE, CYSTEINYL TRNA, ELONGATION FACTOR TU, ...
Authors:Nissen, P, Kjeldgaard, M, Thirup, S, Nyborg, J.
Deposit date:1998-12-04
Release date:1998-12-07
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The crystal structure of Cys-tRNACys-EF-Tu-GDPNP reveals general and specific features in the ternary complex and in tRNA.
Structure Fold.Des., 7, 1999
4B0R
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BU of 4b0r by Molmil
Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway
Descriptor: DEAMIDASE-DEPUPYLASE DOP
Authors:Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E.
Deposit date:2012-07-04
Release date:2012-09-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structures of Pup ligase PafA and depupylase Dop from the prokaryotic ubiquitin-like modification pathway.
Nat Commun, 3, 2012
3T52
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BU of 3t52 by Molmil
L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity
Descriptor: ACETATE ION, Arylesterase, CHLORIDE ION, ...
Authors:Kazlauskas, R.J, Yin, T, Purpero, V.M.
Deposit date:2011-07-26
Release date:2012-08-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:L29I Mutation in an Aryl Esterase from Pseudomonas fluorescens Leads to Unique Peptide Flip and Increased Activity
To be Published
4B0S
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BU of 4b0s by Molmil
Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, DEAMIDASE-DEPUPYLASE DOP, MAGNESIUM ION
Authors:Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E.
Deposit date:2012-07-04
Release date:2012-09-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structures of Pup Ligase Pafa and Depupylase Dop from the Prokaryotic Ubiquitin-Like Modification Pathway.
Nat.Commun., 3, 2012
1DAJ
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BU of 1daj by Molmil
COMPARISON OF TERNARY COMPLEXES OF PNEUMOCYSTIS CARINII AND WILD TYPE HUMAN DIHYDROFOLATE REDUCTASE WITH COENZYME NADPH AND A NOVEL CLASSICAL ANTITUMOR FURO[2,3D]PYRIMIDINE ANTIFOLATE
Descriptor: DIHYDROFOLATE REDUCTASE, N-[4-[(2,4-DIAMINOFURO[2,3D]PYRIMIDIN-5-YL)METHYL]METHYLAMINO]-BENZOYL]-L-GLUTAMATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Gangjee, A, Devraj, R, Queener, S.F, Blakley, R.L.
Deposit date:1997-07-29
Release date:1997-12-24
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Comparison of ternary complexes of Pneumocystis carinii and wild-type human dihydrofolate reductase with coenzyme NADPH and a novel classical antitumor furo[2,3-d]pyrimidine antifolate.
Acta Crystallogr.,Sect.D, 53, 1997
4B0T
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BU of 4b0t by Molmil
Structure of the Pup Ligase PafA of the Prokaryotic Ubiquitin-like Modification Pathway in Complex with ADP
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PUP--PROTEIN LIGASE
Authors:Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E.
Deposit date:2012-07-04
Release date:2012-09-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.159 Å)
Cite:Structures of Pup Ligase Pafa and Depupylase Dop from the Prokaryotic Ubiquitin-Like Modification Pathway.
Nat.Commun., 3, 2012
1N9A
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BU of 1n9a by Molmil
Farnesyltransferase complex with tetrahydropyridine inhibitors
Descriptor: 1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE, ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID, Protein farnesyltransferase alpha subunit, ...
Authors:Gwaltney II, S.L, O'Conner, S.J, Nelson, L.T, Sullivan, G.M, Imade, H, Wang, W, Hasvold, L, Li, Q, Cohen, J, Gu, W.Z.
Deposit date:2002-11-22
Release date:2003-01-07
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Aryl tetrahydropyridine inhibitors of farnesyltransferase: bioavailable analogues with improved cellular potency.
Bioorg.Med.Chem.Lett., 13, 2003
3SW2
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BU of 3sw2 by Molmil
X-ray crystal structure of human FXA in complex with 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide
Descriptor: 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide, CALCIUM ION, Coagulation factor X, ...
Authors:Klei, H.E.
Deposit date:2011-07-13
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Arylsulfonamidopiperidone derivatives as a novel class of factor Xa inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3B92
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BU of 3b92 by Molmil
Novel thio-based TACE inhibitors Part 2: Rational design, synthesis and SAR of thiol-contaning aryl sufones
Descriptor: 3-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}propane-1-thiol, ADAM 17, ZINC ION
Authors:Wei, Y.
Deposit date:2007-11-02
Release date:2007-12-18
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel thiol-based TACE inhibitors. Part 2: Rational design, synthesis, and SAR of thiol-containing aryl sulfones.
Bioorg.Med.Chem.Lett., 18, 2008
1CD0
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BU of 1cd0 by Molmil
STRUCTURE OF HUMAN LAMDA-6 LIGHT CHAIN DIMER JTO
Descriptor: PROTEIN (JTO, A VARIABLE DOMAIN FROM LAMBDA-6 TYPE IMMUNOGLOBULIN LIGHT CHAIN)
Authors:Pokkuluri, P.R, Solomon, A, Weiss, D.T, Stevens, F.J, Schiffer, M.
Deposit date:1999-03-05
Release date:2000-03-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Tertiary structure of human lambda 6 light chains.
Amyloid, 6, 1999

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