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4NAA
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BU of 4naa by Molmil
Crystal structure of UVB photoreceptor UVR8 from Arabidopsis thaliana and UV-induced structural changes at 120K
Descriptor: MAGNESIUM ION, Ultraviolet-B receptor UVR8
Authors:Yang, X, Zeng, X, Ren, Z, Zhao, K.H.
Deposit date:2013-10-22
Release date:2016-10-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
4LA6
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BU of 4la6 by Molmil
Crystal structure of 2-methylisoborneol synthase from Streptomyces coelicolor A3(2) in complex with Mg2+ and 2-fluoroneryl diphosphate
Descriptor: (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-yl trihydrogen diphosphate, 2-methylisoborneol synthase, MAGNESIUM ION
Authors:Koksal, M, Christianson, D.W.
Deposit date:2013-06-19
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:Unexpected reactivity of 2-fluorolinalyl diphosphate in the active site of crystalline 2-methylisoborneol synthase.
Biochemistry, 52, 2013
1E61
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BU of 1e61 by Molmil
OXIDIZED DMSO REDUCTASE EXPOSED TO HEPES - Structure II BUFFER
Descriptor: 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, Dimethyl sulfoxide/trimethylamine N-oxide reductase, MOLYBDENUM (IV)OXIDE, ...
Authors:Bailey, S, Bennett, B, Adams, B, Smith, A.T, Bray, R.C.
Deposit date:2000-08-06
Release date:2000-08-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Reversible Dissociation of Thiolate Ligands from Molybdenum in an Enzyme of the Dimethyl Sulfoxide Reductase Family
Biochemistry, 39, 2000
2ROG
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BU of 2rog by Molmil
Solution structure of Thermus thermophilus HB8 TTHA1718 protein in living E. coli cells
Descriptor: Heavy metal binding protein
Authors:Sakakibara, D, Sasaki, A, Ikeya, T, Hamatsu, J, Koyama, H, Mishima, M, Mikawa, T, Waelchli, M, Smith, B.O, Shirakawa, M, Guentert, P, Ito, Y.
Deposit date:2008-03-21
Release date:2009-03-03
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Protein structure determination in living cells by in-cell NMR spectroscopy
Nature, 458, 2009
3DSI
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BU of 3dsi by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) Complexed with 13(S)-HOT at 1.60 A resolution
Descriptor: (9Z,11E,13S,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid, Cytochrome P450 74A, chloroplast, ...
Authors:Lee, D.S, Nioche, P, Raman, C.S.
Deposit date:2008-07-12
Release date:2008-08-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
1EWF
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BU of 1ewf by Molmil
THE 1.7 ANGSTROM CRYSTAL STRUCTURE OF BPI
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERICIDAL/PERMEABILITY-INCREASING PROTEIN
Authors:Kleiger, G, Beamer, L.J, Grothe, R, Mallick, P, Eisenberg, D.
Deposit date:2000-04-25
Release date:2000-06-21
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The 1.7 A crystal structure of BPI: a study of how two dissimilar amino acid sequences can adopt the same fold.
J.Mol.Biol., 299, 2000
4N56
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BU of 4n56 by Molmil
Binary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant (Cs3C KlenTaq) with DNA
Descriptor: 5'-D(*AP*AP*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DOC))-3', DNA polymerase I, ...
Authors:Wu, E.Y.
Deposit date:2013-10-09
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A Conservative Isoleucine to Leucine Mutation Causes Major Rearrangements and Cold Sensitivity in KlenTaq1 DNA Polymerase.
Biochemistry, 54, 2015
4N7Y
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BU of 4n7y by Molmil
Crystal structure of 14-3-3zeta in complex with a 8-carbon-linker cyclic peptide derived from ExoS
Descriptor: 14-3-3 protein zeta/delta, Exoenzyme S
Authors:Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
Deposit date:2013-10-16
Release date:2014-02-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
3C6O
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BU of 3c6o by Molmil
Small molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling
Descriptor: (2S)-2-(1H-indol-3-yl)hexanoic acid, INOSITOL HEXAKISPHOSPHATE, SKP1-like protein 1A, ...
Authors:Tan, X.
Deposit date:2008-02-04
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Small-molecule agonists and antagonists of F-box protein-substrate interactions in auxin perception and signaling.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4N5S
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BU of 4n5s by Molmil
Ternary complex structure of Klenow fragment of Taq DNA polymerase I707L mutant (Cs3C KlenTaq) with DNA and ddCTP
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5'-D(*AP*A*AP*GP*GP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', ...
Authors:Wu, E.Y.
Deposit date:2013-10-10
Release date:2015-01-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:A Conservative Isoleucine to Leucine Mutation Causes Major Rearrangements and Cold Sensitivity in KlenTaq1 DNA Polymerase.
Biochemistry, 54, 2015
1DAY
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BU of 1day by Molmil
CRYSTAL STRUCTURE OF A BINARY COMPLEX OF PROTEIN KINASE CK2 (ALPHA-SUBUNIT) AND MG-GMPPNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, PROTEIN KINASE CK2
Authors:Niefind, K, Puetter, M, Guerra, B, Issinger, O.G, Schomburg, D.
Deposit date:1999-11-01
Release date:2000-05-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:GTP plus water mimic ATP in the active site of protein kinase CK2.
Nat.Struct.Biol., 6, 1999
1DD7
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BU of 1dd7 by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) (N-[(1,3-BENZODIOXOL-5-YL)METHYL]-1-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]-4-(METHOXYCARBONYL)-PIPERAZINE-2-ACETAMIDE COMPLEX
Descriptor: INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE, SULFITE ION, ...
Authors:Adler, M, Whitlow, M.
Deposit date:1999-11-08
Release date:2000-03-29
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Allosteric inhibitors of inducible nitric oxide synthase dimerization discovered via combinatorial chemistry.
Proc.Natl.Acad.Sci.USA, 97, 2000
1DEK
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BU of 1dek by Molmil
DEOXYNUCLEOSIDE MONOPHOSPHATE KINASE COMPLEXED WITH DEOXY-GMP
Descriptor: 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, DEOXYNUCLEOSIDE MONOPHOSPHATE KINASE, MAGNESIUM ION
Authors:Teplyakov, A, Sebastiao, P.
Deposit date:1996-01-09
Release date:1997-01-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of bacteriophage T4 deoxynucleotide kinase with its substrates dGMP and ATP.
EMBO J., 15, 1996
4OTJ
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BU of 4otj by Molmil
The complex of murine cyclooxygenase-2 with a conjugate of indomefathin and podophyllotoxin, N-{(succinylpodophyllotoxinyl)but-4-yl}-2-{1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl}acetamide
Descriptor: (5S,5aS,8aS,9S)-8-oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4-{[4-({[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}amino)butyl]amino}-4-oxobutanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Xu, S, Uddin, M.J, Banerjee, S, Marnett, L.J.
Deposit date:2014-02-13
Release date:2015-04-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Antitumor Activity of Cytotoxic Cyclooxygenase-2 Inhibitors.
Acs Chem.Biol., 11, 2016
4OYM
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BU of 4oym by Molmil
Human solAC Complexed with (4-Amino-furazan-3-yl)-(3-methoxy-phenyl)-methanone
Descriptor: (4-azanyl-1,2,5-oxadiazol-3-yl)-(3-methoxyphenyl)methanone, Adenylate cyclase type 10, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-12
Release date:2014-04-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human soluble adenylate cyclase reveals a distinct, highly flexible allosteric bicarbonate binding pocket.
Chemmedchem, 9, 2014
4CB0
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BU of 4cb0 by Molmil
Crystal structure of CpxAHDC in complex with ATP (hexagonal form)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, SENSOR PROTEIN CPXA, SULFATE ION
Authors:Mechaly, A.E, Sassoon, N, Betton, J.M, Alzari, P.M.
Deposit date:2013-10-09
Release date:2014-02-12
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Segmental Helical Motions and Dynamical Asymmetry Modulate Histidine Kinase Autophosphorylation.
Plos Biol., 12, 2014
4PRS
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BU of 4prs by Molmil
Structure of apo ArgBP from T. maritima
Descriptor: ABC-type transporter, periplasmic subunit family 3
Authors:Ruggiero, A, Dattelbaum, J.D, Staiano, M, Berisio, R, D'Auria, S, Vitagliano, L.
Deposit date:2014-03-06
Release date:2014-07-23
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A loose domain swapping organization confers a remarkable stability to the dimeric structure of the arginine binding protein from Thermotoga maritima
Plos One, 9, 2014
1BJE
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BU of 1bje by Molmil
H64T VARIANT OF MYOGLOBIN (HORSE HEART) RECOMBINANT WILD-TYPE COMPLEXED WITH AZIDE
Descriptor: AZIDE ION, MYOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Maurus, R, Brayer, G.D.
Deposit date:1997-10-18
Release date:1998-01-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and spectroscopic studies of azide complexes of horse heart myoglobin and the His-64-->Thr variant.
Biochem.J., 332, 1998
1BOF
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BU of 1bof by Molmil
GI-ALPHA-1 BOUND TO GDP AND MAGNESIUM
Descriptor: GI ALPHA 1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
Authors:Coleman, D.E, Sprang, S.R.
Deposit date:1998-08-04
Release date:1999-01-06
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of the G protein Gi alpha 1 complexed with GDP and Mg2+: a crystallographic titration experiment.
Biochemistry, 37, 1998
3D7D
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BU of 3d7d by Molmil
A high resolution crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DCFBD, a urea-based inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lubkowski, J, Barinka, C.
Deposit date:2008-05-21
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Interactions between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization
J.Med.Chem., 51, 2008
1E79
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BU of 1e79 by Molmil
Bovine F1-ATPase inhibited by DCCD (dicyclohexylcarbodiimide)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP SYNTHASE ALPHA CHAIN HEART ISOFORM, ...
Authors:Gibbons, C, Montgomery, M.G, Leslie, A.G.W, Walker, J.E.
Deposit date:2000-08-25
Release date:2000-11-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Structure of the Central Stalk in Bovine F(1)-ATPase at 2.4 A Resolution.
Nat.Struct.Biol., 7, 2000
3D9V
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BU of 3d9v by Molmil
CRYSTAL STRUCTURE OF ROCK I BOUND TO H-1152P A DI-METHYLATED VARIANT OF FASUDIL
Descriptor: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE, Rho-associated protein kinase 1
Authors:Jacobs, M.
Deposit date:2008-05-27
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:The structure of dimeric ROCK I reveals the mechanism for ligand selectivity.
J.Biol.Chem., 281, 2006
4N7G
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BU of 4n7g by Molmil
Crystal structure of 14-3-3zeta in complex with a peptide derived from ExoS
Descriptor: 14-3-3 protein zeta/delta, Exoenzyme S, HEXAETHYLENE GLYCOL
Authors:Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
Deposit date:2013-10-15
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
1EOV
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BU of 1eov by Molmil
FREE ASPARTYL-TRNA SYNTHETASE (ASPRS) (E.C. 6.1.1.12) FROM YEAST
Descriptor: ASPARTYL-TRNA SYNTHETASE
Authors:Sauter, C, Lorber, B, Cavarelli, J, Moras, D, Giege, R.
Deposit date:2000-03-24
Release date:2000-09-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The free yeast aspartyl-tRNA synthetase differs from the tRNA(Asp)-complexed enzyme by structural changes in the catalytic site, hinge region, and anticodon-binding domain.
J.Mol.Biol., 299, 2000
3EFW
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BU of 3efw by Molmil
Structure of AuroraA with pyridyl-pyrimidine urea inhibitor
Descriptor: 1-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea, SULFATE ION, Serine/threonine-protein kinase 6
Authors:Bellon, S.F, Cee, V, Hughes, P, Geuns-Meyer, S, Whittington, D.
Deposit date:2008-09-10
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Pyridyl-pyrimidine benzimidazole derivatives as potent, selective, and orally bioavailable inhibitors of Tie-2 kinase.
Bioorg.Med.Chem.Lett., 19, 2009

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