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4NVJ
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BU of 4nvj by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.813 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
3BNE
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BU of 3bne by Molmil
Lipoxygenase-1 (Soybean) I553A Mutant
Descriptor: FE (III) ION, Seed lipoxygenase-1
Authors:Tomchick, D.R.
Deposit date:2007-12-14
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Enzyme structure and dynamics affect hydrogen tunneling: the impact of a remote side chain (I553) in soybean lipoxygenase-1.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4O0U
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BU of 4o0u by Molmil
Crystal structures of human kinase Aurora A
Descriptor: ADENOSINE, Aurora kinase A
Authors:Wang, J, Zhang, L, Ding, J.
Deposit date:2013-12-14
Release date:2014-12-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Functional Role of Conserved HxD-histidine in the Catalytic Core of Protein Kinases
To be Published
3BXK
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BU of 3bxk by Molmil
Crystal structure of the P/Q-type calcium channel (CaV2.1) IQ domain and CA2+calmodulin complex
Descriptor: CALCIUM ION, Calmodulin, SULFATE ION, ...
Authors:Mori, M.X, Vander Kooi, C.W, Leahy, D.J, Yue, D.T.
Deposit date:2008-01-14
Release date:2008-03-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Crystal structure of the P/Q-type calcium channel (CaV2.1) IQ domain and CA2+calmodulin complex
To be Published
4NC4
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BU of 4nc4 by Molmil
Crystal structure of photoreceptor AtUVR8 mutant W285F and light-induced structural changes at 120K
Descriptor: MAGNESIUM ION, Ultraviolet-B receptor UVR8
Authors:Yang, X, Zeng, X, Zhao, K.-H, Ren, Z.
Deposit date:2013-10-23
Release date:2016-10-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Dynamic Crystallography Reveals Early Signalling Events in Ultraviolet Photoreceptor UVR8.
Nat Plants, 1, 2015
1BTL
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BU of 1btl by Molmil
CRYSTAL STRUCTURE OF ESCHERICHIA COLI TEM1 BETA-LACTAMASE AT 1.8 ANGSTROMS RESOLUTION
Descriptor: BETA-LACTAMASE TEM1, SULFATE ION
Authors:Jelsch, C, Mourey, L, Masson, J.M, Samama, J.P.
Deposit date:1993-11-01
Release date:1995-01-26
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Escherichia coli TEM1 beta-lactamase at 1.8 A resolution.
Proteins, 16, 1993
1C0G
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BU of 1c0g by Molmil
CRYSTAL STRUCTURE OF 1:1 COMPLEX BETWEEN GELSOLIN SEGMENT 1 AND A DICTYOSTELIUM/TETRAHYMENA CHIMERA ACTIN (MUTANT 228: Q228K/T229A/A230Y/E360H)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, PROTEIN (CHIMERIC ACTIN), ...
Authors:Matsuura, Y, Stewart, M, Kawamoto, M, Kamiya, N, Saeki, K, Yasunaga, T, Wakabayashi, T.
Deposit date:1999-07-16
Release date:2000-03-01
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for the higher Ca(2+)-activation of the regulated actin-activated myosin ATPase observed with Dictyostelium/Tetrahymena actin chimeras.
J.Mol.Biol., 296, 2000
4NVC
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BU of 4nvc by Molmil
Predicting protein conformational response in prospective ligand discovery
Descriptor: BENZAMIDINE, Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
3BNB
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BU of 3bnb by Molmil
Lipoxygenase-1 (Soybean) I553L Mutant
Descriptor: FE (III) ION, Seed lipoxygenase-1
Authors:Tomchick, D.R.
Deposit date:2007-12-14
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Enzyme structure and dynamics affect hydrogen tunneling: the impact of a remote side chain (I553) in soybean lipoxygenase-1.
Proc.Natl.Acad.Sci.Usa, 105, 2008
4NVD
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BU of 4nvd by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE, quinazolin-4-amine
Authors:Fischer, M, Fraser, J.S.
Deposit date:2013-12-05
Release date:2013-12-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4OQ7
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BU of 4oq7 by Molmil
Predicting protein conformational response in prospective ligand discovery.
Descriptor: Cytochrome c peroxidase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Fischer, M, Fraser, J.S.
Deposit date:2014-02-07
Release date:2014-02-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Incorporation of protein flexibility and conformational energy penalties in docking screens to improve ligand discovery.
Nat Chem, 6, 2014
4OYI
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BU of 4oyi by Molmil
Human solAC Complexed with (4-Amino-furazan-3-yl)-phenyl-methanone
Descriptor: (4-azanyl-1,2,5-oxadiazol-3-yl)-phenyl-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
4OYW
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BU of 4oyw by Molmil
Crystal Structure of Human Soluble Adenylate Cyclase
Descriptor: Adenylate cyclase type 10, CHLORIDE ION, GLYCEROL
Authors:Vinkovic, M.
Deposit date:2014-02-13
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
3BNC
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BU of 3bnc by Molmil
Lipoxygenase-1 (Soybean) I553G Mutant
Descriptor: ACETIC ACID, FE (III) ION, Seed lipoxygenase-1
Authors:Tomchick, D.R.
Deposit date:2007-12-14
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Enzyme structure and dynamics affect hydrogen tunneling: the impact of a remote side chain (I553) in soybean lipoxygenase-1.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1CZI
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BU of 1czi by Molmil
CHYMOSIN COMPLEX WITH THE INHIBITOR CP-113972
Descriptor: CHYMOSIN, CP-113972 (NORSTATINE-S-METHYL CYSTEINE-IODO-PHENYLALANINE-PROLINE)
Authors:Groves, M.R, Dhanaraj, V, Pitts, J.E, Badasso, M, Hoover, D, Nugent, P, Blundell, T.L.
Deposit date:1997-01-15
Release date:1997-04-01
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A 2.3 A resolution structure of chymosin complexed with a reduced bond inhibitor shows that the active site beta-hairpin flap is rearranged when compared with the native crystal structure.
Protein Eng., 11, 1998
4OPH
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BU of 4oph by Molmil
X-ray structure of full-length H6N6 NS1
Descriptor: Nonstructural protein 1
Authors:Carrillo, B, Choi, J.M, Bornholdt, Z.A, Sankaran, S, Rice, A.P, Prasad, B.V.V.
Deposit date:2014-02-05
Release date:2014-02-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.158 Å)
Cite:The Influenza A Virus Protein NS1 Displays Structural Polymorphism.
J.Virol., 88, 2014
3BTO
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BU of 3bto by Molmil
HORSE LIVER ALCOHOL DEHYDROGENASE COMPLEXED TO NADH AND (1S,3S)3-BUTYLTHIOLANE 1-OXIDE
Descriptor: 3-BUTYLTHIOLANE 1-OXIDE, LIVER ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Ramaswamy, S, Plapp, B.V.
Deposit date:1996-11-08
Release date:1997-03-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Flexibility of liver alcohol dehydrogenase in stereoselective binding of 3-butylthiolane 1-oxides.
Biochemistry, 36, 1997
1P2Y
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BU of 1p2y by Molmil
CRYSTAL STRUCTURE OF CYTOCHROME P450CAM IN COMPLEX WITH (S)-(-)-NICOTINE
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE
Authors:Strickler, M, Goldstein, B.M, Maxfield, K, Shireman, L, Kim, G, Matteson, D, Jones, J.P.
Deposit date:2003-04-16
Release date:2003-10-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger).
Biochemistry, 42, 2003
1DN9
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BU of 1dn9 by Molmil
STRUCTURE OF AN ALTERNATING-B DNA HELIX AND ITS RELATIONSHIP TO A-TRACT DNA
Descriptor: DNA (5'-D(*CP*GP*CP*AP*TP*AP*TP*AP*TP*GP*CP*G)-3')
Authors:Yoon, C, Dickerson, R.E.
Deposit date:1989-04-25
Release date:1990-04-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of an alternating-B DNA helix and its relationship to A-tract DNA.
Proc.Natl.Acad.Sci.USA, 85, 1988
1P7R
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BU of 1p7r by Molmil
CRYSTAL STRUCTURE OF REDUCED, CO-EXPOSED COMPLEX OF CYTOCHROME P450CAM WITH (S)-(-)-NICOTINE
Descriptor: (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, Cytochrome P450-cam, PROTOPORPHYRIN IX CONTAINING FE
Authors:Strickler, M, Goldstein, B.M, Maxfield, K, Shireman, L, Kim, G, Matteson, D, Jones, J.P.
Deposit date:2003-05-05
Release date:2003-10-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystallographic Studies on the Complex Behavior of Nicotine Binding to P450cam (CYP101)(dagger).
Biochemistry, 42, 2003
4OL0
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BU of 4ol0 by Molmil
Crystal structure of transportin-SR2, a karyopherin involved in human disease, in complex with Ran
Descriptor: GTP-binding nuclear protein Ran, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Tsirkone, V.G, Strelkov, S.V.
Deposit date:2014-01-23
Release date:2014-04-09
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structure of transportin SR2, a karyopherin involved in human disease, in complex with Ran.
Acta Crystallogr.,Sect.F, 70, 2014
3CI5
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BU of 3ci5 by Molmil
Complex of Phosphorylated Dictyostelium Discoideum Actin with Gelsolin
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, GLYCEROL, ...
Authors:Baek, K, Dominguez, R.
Deposit date:2008-03-10
Release date:2008-08-19
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Modulation of actin structure and function by phosphorylation of Tyr-53 and profilin binding.
Proc.Natl.Acad.Sci.Usa, 105, 2008
1MIC
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BU of 1mic by Molmil
GRAMICIDIN A: LEFT-HANDED PARALLEL DOUBLE HELICAL FORM IN METHANOL IN THE PRESENCE OF CACL2, NMR, 20 STRUCTURES
Descriptor: GRAMICIDIN A
Authors:Chen, Y, Tucker, A, Wallace, B.A.
Deposit date:1996-05-22
Release date:1997-02-12
Last modified:2023-11-15
Method:SOLUTION NMR
Cite:Solution Structure of a Parallel Left-Handed Double-Helical Gramicidin-A Determined by 2D 1H NMR.
J.Mol.Biol., 264, 1996
4OR7
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BU of 4or7 by Molmil
Klebsiella pneumoniae dihydrofolate reductase complexed with NADPH and 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine
Descriptor: 6-ethyl-5-{3-[3-(pyrimidin-5-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Lamb, K.M, Anderson, A.C.
Deposit date:2014-02-11
Release date:2014-12-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Crystal Structures of Klebsiella pneumoniae Dihydrofolate Reductase Bound to Propargyl-Linked Antifolates Reveal Features for Potency and Selectivity.
Antimicrob.Agents Chemother., 58, 2014
1DGZ
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BU of 1dgz by Molmil
RIBOSMAL PROTEIN L36 FROM THERMUS THERMOPHILUS: NMR STRUCTURE ENSEMBLE
Descriptor: PROTEIN (L36 RIBOSOMAL PROTEIN), ZINC ION
Authors:Hard, T, Rak, A, Allard, P, Kloo, L, Garber, M.
Deposit date:1999-11-27
Release date:1999-12-08
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:The solution structure of ribosomal protein L36 from Thermus thermophilus reveals a zinc-ribbon-like fold.
J.Mol.Biol., 296, 2000

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數據於2024-09-11公開中

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