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3SMB
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BU of 3smb by Molmil
Phenethylisothiocyanate Covalently Bound to Macrophage Migration Inhibitory Factor (MIF)
Descriptor: CHLORIDE ION, Macrophage migration inhibitory factor, N-(2-phenylethyl)thioformamide, ...
Authors:Crichlow, G.V, Lolis, E.J.
Deposit date:2011-06-27
Release date:2012-10-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural interactions dictate the kinetics of macrophage migration inhibitory factor inhibition by different cancer-preventive isothiocyanates.
Biochemistry, 51, 2012
3SME
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BU of 3sme by Molmil
Structure of PTP1B inactivated by H2O2/bicarbonate
Descriptor: MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1
Authors:Tanner, J.J, Singh, H.
Deposit date:2011-06-27
Release date:2011-10-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Biological Buffer Bicarbonate/CO(2) Potentiates H(2)O(2)-Mediated Inactivation of Protein Tyrosine Phosphatases.
J.Am.Chem.Soc., 133, 2011
3SMZ
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BU of 3smz by Molmil
Human raver1 RRM1-3 domains (residues 39-320)
Descriptor: Ribonucleoprotein PTB-binding 1, SULFATE ION
Authors:Rangarajan, E.S, Lee, J.H, Izard, T.
Deposit date:2011-06-28
Release date:2011-08-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Apo raver1 structure reveals distinct RRM domain orientations.
Protein Sci., 20, 2011
3SK9
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BU of 3sk9 by Molmil
Crystal structure of the Thermus thermophilus cas3 HD domain
Descriptor: Putative uncharacterized protein TTHB187
Authors:Bailey, S, Mulepati, S.
Deposit date:2011-06-22
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Analysis of Nuclease Domain of Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-associated Protein 3 (Cas3).
J.Biol.Chem., 286, 2011
3SNO
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BU of 3sno by Molmil
Crystal structure of a putative aminotransferase (NCgl2491) from Corynebacterium glutamicum ATCC 13032 at 1.60 A resolution
Descriptor: 1,2-ETHANEDIOL, Hypothetical aminotransferase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-06-29
Release date:2011-07-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of a Hypothetical aminotransferase (NCgl2491) from CORYNEBACTERIUM GLUTAMICUM ATCC 13032 KITASATO at 1.60 A resolution
To be published
3SO6
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BU of 3so6 by Molmil
Crystal structure of the LDL receptor tail in complex with autosomal recessive hypercholesterolemia PTB domain
Descriptor: LDL receptor adaptor protein, Low-density lipoprotein receptor
Authors:Dvir, H, Zajonc, D.M.
Deposit date:2011-06-29
Release date:2012-04-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Atomic structure of the autosomal recessive hypercholesterolemia phosphotyrosine-binding domain in complex with the LDL-receptor tail.
Proc.Natl.Acad.Sci.USA, 109, 2012
3S9T
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BU of 3s9t by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 2-chloro-5-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
Descriptor: 2-chloro-5-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
Authors:Grazulis, S, Manakova, E, Tamulaitiene, G.
Deposit date:2011-06-02
Release date:2012-04-18
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
3SA2
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BU of 3sa2 by Molmil
Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1014
Descriptor: 6-ethyl-5-[3-(5-methoxybiphenyl-3-yl)prop-1-yn-1-yl]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Anderson, A.C, Beierlein, J.M.
Deposit date:2011-06-02
Release date:2012-06-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:SAR studies of heterocyclic propargyl-linked TMP analogs to Bacillus dihydrofolate reductase
to be published
3SAA
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BU of 3saa by Molmil
Crystal structure of Wild-type HIV-1 protease in complex With AF77
Descriptor: N-[(2S,3R)-4-{(cyclohexylmethyl)[(4-methoxyphenyl)sulfonyl]amino}-3-hydroxy-1-phenylbutan-2-yl]-3-hydroxybenzamide, PHOSPHATE ION, Protease
Authors:Schiffer, C.A, Nalam, M.N.L.
Deposit date:2011-06-02
Release date:2012-06-06
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Protease Inhibitors that protrude out from substrate envelope are more susceptible to developing drug resistance
To be Published
3SB6
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BU of 3sb6 by Molmil
Cu-mediated Dimer of T4 Lysozyme D61H/K65H/R76H/R80H by Synthetic Symmetrization
Descriptor: CHLORIDE ION, COPPER (II) ION, Lysozyme
Authors:Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-03
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3S92
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BU of 3s92 by Molmil
Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1
Descriptor: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain-containing protein 3
Authors:Filippakopoulos, P, Picaud, S, Qi, J, Keates, T, Felletar, I, Fedorov, O, Muniz, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2011-05-31
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Crystal Structure of the second bromodomain of human BRD3 in complex with the inhibitor JQ1
To be Published
3SB4
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BU of 3sb4 by Molmil
Crystal structure of a leucine-rich repeat protein (BT_1240) from Bacteroides thetaiotaomicron VPI-5482 at 1.99 A resolution
Descriptor: GLYCEROL, Hypothetical leucine rich repeat protein, TETRAETHYLENE GLYCOL
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-06-03
Release date:2011-06-22
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Crystal structure of a Hypothetical leucine rich repeat protein (BT_1240) from Bacteroides thetaiotaomicron VPI-5482 at 1.99 A resolution
To be published
3SEO
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BU of 3seo by Molmil
Crystal structure of VopL C terminal domain
Descriptor: CHLORIDE ION, VopL C terminal domain protein
Authors:Yu, B, Rosen, M.K, Tomchick, D.R.
Deposit date:2011-06-10
Release date:2011-08-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.305 Å)
Cite:Mechanism of actin filament nucleation by the bacterial effector VopL.
Nat.Struct.Mol.Biol., 18, 2011
3SGP
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BU of 3sgp by Molmil
Amyloid-related segment of alphaB-crystallin residues 90-100 mutant V91L
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Alpha-crystallin B chain
Authors:Laganowsky, A, Sawaya, M.R, Cascio, D, Eisenberg, D.
Deposit date:2011-06-15
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.4016 Å)
Cite:Atomic view of a toxic amyloid small oligomer.
Science, 335, 2012
3SGW
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BU of 3sgw by Molmil
Crystal structure of ribose-5-phosphate isomerase B RpiB from Coccidioides immitis semi-covalently bound to malonic acid
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, MALONIC ACID, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-06-15
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural characterization of a ribose-5-phosphate isomerase B from the pathogenic fungus Coccidioides immitis.
Bmc Struct.Biol., 11, 2011
3SHL
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BU of 3shl by Molmil
Crystal structure of Staphylococcal nuclease variant Delta+PHS V74KL25A at cryogenic temperature
Descriptor: CALCIUM ION, THYMIDINE-3',5'-DIPHOSPHATE, Thermonuclease
Authors:Caro, J.A, Sue, G, Schlessman, J.L, Heroux, A, Garcia-Moreno E, B.
Deposit date:2011-06-16
Release date:2011-06-29
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Redirection of internal ionizable residues by engineered cavities
To be Published
3SKD
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BU of 3skd by Molmil
Crystal structure of the Thermus thermophilus cas3 HD domain in the presence of Ni2+
Descriptor: NICKEL (II) ION, Putative uncharacterized protein TTHB187
Authors:Bailey, S, Mulepati, S.
Deposit date:2011-06-22
Release date:2011-07-20
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Biochemical Analysis of Nuclease Domain of Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-associated Protein 3 (Cas3).
J.Biol.Chem., 286, 2011
3SJV
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BU of 3sjv by Molmil
Crystal structure of the RL42 TCR in complex with HLA-B8-FLR
Descriptor: Beta-2-microglobulin, Epstein-Barr nuclear antigen 3, HLA class I histocompatibility antigen, ...
Authors:Gras, S, Wilmann, P.G, Zhenjun, C, Hanim, H, Yu Chih, L, Kjer-Nielsen, L, Purcell, A.W, Burrows, S.R, Mccluskey, J, Rossjohn, J.
Deposit date:2011-06-22
Release date:2012-02-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:A structural basis for varied alpha-beta TCR usage against an immunodominant EBV antigen restricted to a HLA-B8 molecule.
J.Immunol., 188, 2012
7N55
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BU of 7n55 by Molmil
The crystal structure of the mutant I38T PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988514
Descriptor: 5-hydroxy-N-[2-(2-methoxypyridin-4-yl)ethyl]-2-(2-methylphenyl)-6-oxo-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ...
Authors:Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
Deposit date:2021-06-04
Release date:2022-06-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
7N8F
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BU of 7n8f by Molmil
The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000988288
Descriptor: Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W.
Deposit date:2021-06-14
Release date:2022-06-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential.
Eur.J.Med.Chem., 247, 2023
3JYF
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BU of 3jyf by Molmil
The crystal structure of a 2,3-cyclic nucleotide 2-phosphodiesterase/3-nucleotidase bifunctional periplasmic precursor protein from Klebsiella pneumoniae subsp. pneumoniae MGH 78578
Descriptor: 2',3'-cyclic nucleotide 2'-phosphodiesterase/3'-nucleotidase bifunctional periplasmic protein, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Fan, Y, Volkart, L, Cobb, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-09-21
Release date:2009-09-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The crystal structure of a 2,3-cyclic nucleotide 2-phosphodiesterase/3-nucleotidase bifunctional periplasmic precursor protein from Klebsiella pneumoniae subsp. pneumoniae MGH 78578
To be Published
7N18
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BU of 7n18 by Molmil
Clostridium botulinum Neurotoxin Serotype A Light Chain Inhibited by a Chiral Hydroxamic Acid
Descriptor: (3R)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, (3S)-3-(4-chlorophenyl)-N,5-dihydroxypentanamide, Botulinum neurotoxin type A, ...
Authors:Silvaggi, N.R, Allen, K.N.
Deposit date:2021-05-27
Release date:2022-07-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Use of Crystallography and Molecular Modeling for the Inhibition of the Botulinum Neurotoxin A Protease.
Acs Med.Chem.Lett., 12, 2021
7MQK
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BU of 7mqk by Molmil
AAC(3)-IIIa in complex with CoA and sisomicin
Descriptor: (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside, Aminoglycoside N(3)-acetyltransferase III, COENZYME A, ...
Authors:Zielinski, M, Berghuis, A.M.
Deposit date:2021-05-05
Release date:2022-07-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural elucidation of substrate-bound aminoglycoside acetyltransferase (3)-IIIa.
Plos One, 17, 2022
7MQL
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BU of 7mql by Molmil
AAC(3)-IIIa in complex with CoA and neomycin
Descriptor: Aminoglycoside N(3)-acetyltransferase III, COENZYME A, FORMIC ACID, ...
Authors:Zielinski, M, Berghuis, A.M.
Deposit date:2021-05-05
Release date:2022-07-06
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural elucidation of substrate-bound aminoglycoside acetyltransferase (3)-IIIa.
Plos One, 17, 2022
7MXO
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BU of 7mxo by Molmil
CryoEM structure of human NKCC1
Descriptor: CHLORIDE ION, POTASSIUM ION, Solute carrier family 12 member 2
Authors:Moseng, M.A.
Deposit date:2021-05-19
Release date:2022-09-28
Last modified:2025-06-04
Method:ELECTRON MICROSCOPY (3.47 Å)
Cite:Inhibition mechanism of NKCC1 involves the carboxyl terminus and long-range conformational coupling.
Sci Adv, 8, 2022

238582

數據於2025-07-09公開中

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