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7U1X
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BU of 7u1x by Molmil
Structure of SPAC806.04c protein from fission yeast covalently bound to BeF3
Descriptor: Damage-control phosphatase SPAC806.04c, PHOSPHATE ION, ZINC ION
Authors:Jacewicz, A, Sanchez, A.M, Shuman, S.
Deposit date:2022-02-22
Release date:2022-06-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
7VML
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BU of 7vml by Molmil
Structure of recombinant RyR2 (EGTA dataset, class 1&2, closed state)
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION
Authors:Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H.
Deposit date:2021-10-09
Release date:2022-08-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations.
Nat Commun, 13, 2022
7VMN
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BU of 7vmn by Molmil
Structure of recombinant RyR2 (EGTA dataset, class 2, closed state)
Descriptor: Peptidyl-prolyl cis-trans isomerase FKBP1B, Ryanodine receptor 2, ZINC ION
Authors:Kobayashi, T, Tsutsumi, A, Kurebayashi, N, Kodama, M, Kikkawa, M, Murayama, T, Ogawa, H.
Deposit date:2021-10-09
Release date:2022-08-10
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Molecular basis for gating of cardiac ryanodine receptor explains the mechanisms for gain- and loss-of function mutations.
Nat Commun, 13, 2022
7ALC
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BU of 7alc by Molmil
human GCH-GFRP stimulatory complex
Descriptor: GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, PHENYLALANINE, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.726 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
7TUS
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BU of 7tus by Molmil
Sculpting a uniquely reactive cysteine residue for site-specific antibody conjugation
Descriptor: Antibody Heavy Chain, Antibody Light Chain, DI(HYDROXYETHYL)ETHER, ...
Authors:Park, H, Rader, C.
Deposit date:2022-02-03
Release date:2022-06-08
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Sculpting a Uniquely Reactive Cysteine Residue for Site-Specific Antibody Conjugation.
Bioconjug.Chem., 33, 2022
7ALB
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BU of 7alb by Molmil
human GCH-GFRP stimulatory complex 7-deaza-GTP bound
Descriptor: 7-deaza-GTP, GTP cyclohydrolase 1, GTP cyclohydrolase 1 feedback regulatory protein, ...
Authors:Ebenhoch, R, Nar, H.
Deposit date:2020-10-06
Release date:2021-10-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.979 Å)
Cite:A hybrid approach reveals the allosteric regulation of GTP cyclohydrolase I.
Proc.Natl.Acad.Sci.USA, 117, 2020
7B0Z
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BU of 7b0z by Molmil
Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one
Descriptor: (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Iacovino, L.G, Binda, C.
Deposit date:2020-11-23
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B.
Acs Med.Chem.Lett., 12, 2021
7XQG
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BU of 7xqg by Molmil
Hemichannel-focused structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE nanodiscs (GCN conformation)
Descriptor: CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE
Authors:Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S.
Deposit date:2022-05-07
Release date:2023-01-25
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
7B0V
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BU of 7b0v by Molmil
Crystal Structure of human monoamine oxidase B in complex with (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one
Descriptor: (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one, Amine oxidase [flavin-containing] B, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Iacovino, L.G, Binda, C.
Deposit date:2020-11-23
Release date:2021-11-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Promising Non-cytotoxic Monosubstituted Chalcones to Target Monoamine Oxidase-B.
Acs Med.Chem.Lett., 12, 2021
2XW0
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BU of 2xw0 by Molmil
Human serum albumin complexed with dansyl-L-phenylalanine
Descriptor: DANSYL-L-PHENYLALANINE, SERUM ALBUMIN
Authors:Ryan, A.J, Curry, S.
Deposit date:2010-10-28
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
7SP3
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BU of 7sp3 by Molmil
E. coli RppH bound to Ap4A
Descriptor: BIS(ADENOSINE)-5'-TETRAPHOSPHATE, CHLORIDE ION, FLUORIDE ION, ...
Authors:Serganov, A.A, Vasilyev, N, Nuthanakanti, A.
Deposit date:2021-11-02
Release date:2022-03-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A distinct RNA recognition mechanism governs Np 4 decapping by RppH.
Proc.Natl.Acad.Sci.USA, 119, 2022
7K4Y
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BU of 7k4y by Molmil
Crystal structure of Kemp Eliminase HG3.17 at 343 K
Descriptor: Endo-1,4-beta-xylanase
Authors:Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
Deposit date:2020-09-16
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7U4R
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BU of 7u4r by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Descriptor: 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one, Dual specificity protein phosphatase 10
Authors:Gannam, Z.T.K, Jamali, H, Gentzel, E, Lolis, E, Anderson, K.S, Ellman, J.A, Bennett, A.M.
Deposit date:2022-02-28
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Defining the structure-activity relationship for a novel class of allosteric MKP5 inhibitors.
Eur.J.Med.Chem., 243, 2022
7K4X
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BU of 7k4x by Molmil
Crystal structure of Kemp Eliminase HG3.7 in complex with the transition state analog 6-nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, ACETATE ION, Endo-1,4-beta-xylanase, ...
Authors:Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
Deposit date:2020-09-16
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7KCT
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BU of 7kct by Molmil
Crystal Structure of the Hydrogenobacter thermophilus 2-Oxoglutarate Carboxylase (OGC) Biotin Carboxylase (BC) Domain Dimer in Complex with Adenosine 5'-Diphosphate Magnesium Salt (MgADP), Adenosine 5'-Diphosphate (ADP, and Bicarbonate Anion (Hydrogen Carbonate/HCO3-)
Descriptor: 2-oxoglutarate carboxylase small subunit, ADENOSINE-5'-DIPHOSPHATE, BICARBONATE ION, ...
Authors:Buhrman, G.K, Rose, R.B, Enriquez, P, Truong, V.
Deposit date:2020-10-07
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure, Function, and Thermal Adaptation of the Biotin Carboxylase Domain Dimer from Hydrogenobacter thermophilus 2-Oxoglutarate Carboxylase.
Biochemistry, 60, 2021
7U0U
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BU of 7u0u by Molmil
Crystal Structure of a Aspergillus fumigatus Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-506
Descriptor: 8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN, CALCIUM ION, PHOSPHATE ION, ...
Authors:Fox III, D, Abendroth, J, DeBouver, N.D, Hoy, M.J, Heitman, J, Lorimer, D.D, Horanyi, P.S, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2022-02-18
Release date:2022-08-03
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Guided Synthesis of FK506 and FK520 Analogs with Increased Selectivity Exhibit In Vivo Therapeutic Efficacy against Cryptococcus.
Mbio, 13, 2022
7DRU
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BU of 7dru by Molmil
Crystal Structure of the Dog Lipocalin Allergen Can f 1
Descriptor: Major allergen Can f 1
Authors:Suda, K, Muroya, H, Nishimura, S, Inui, T.
Deposit date:2020-12-29
Release date:2021-11-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-based prediction of the IgE epitopes of the major dog allergen Can f 1.
Febs J., 289, 2022
2XW1
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BU of 2xw1 by Molmil
Human serum albumin complexed with dansyl-L-norvaline
Descriptor: DANSYL-L-NORVALINE, SERUM ALBUMIN
Authors:Ryan, A.J, Curry, S.
Deposit date:2010-10-28
Release date:2010-11-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of Binding of Fluorescent, Site-Specific Dansylated Amino Acids to Human Serum Albumin.
J.Struct.Biol., 174, 2011
7JJF
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BU of 7jjf by Molmil
Sarcin-ricin loop with modified residue.
Descriptor: MAGNESIUM ION, RNA/DNA (27-mer)
Authors:Harp, J.M, Pallan, P.S, Egli, M.
Deposit date:2020-07-25
Release date:2020-12-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Incorporating a Thiophosphate Modification into a Common RNA Tetraloop Motif Causes an Unanticipated Stability Boost.
Biochemistry, 59, 2020
7JX7
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BU of 7jx7 by Molmil
BRD2-BD2 in complex with a diacetylated-H2A.Z peptide
Descriptor: Bromodomain-containing protein 2, Diacetylated-H2A.Z peptide
Authors:Patel, K, Low, J.K.K, Mackay, J.P, Solomon, P.D.
Deposit date:2020-08-26
Release date:2020-12-09
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The bromodomains of BET family proteins can recognize diacetylated histone H2A.Z.
Protein Sci., 30, 2021
7K4Q
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BU of 7k4q by Molmil
Crystal structure of Kemp Eliminase HG3 in complex with the transition state analog 6-nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, SULFATE ION
Authors:Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
Deposit date:2020-09-16
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
7K4V
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BU of 7k4v by Molmil
Crystal structure of Kemp Eliminase HG3.17
Descriptor: Endo-1,4-beta-xylanase, TETRAETHYLENE GLYCOL
Authors:Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
Deposit date:2020-09-16
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020
1PD8
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BU of 1pd8 by Molmil
Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase
Descriptor: 2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Luft, J.R, Pangborn, W, Gangjee, A.
Deposit date:2003-05-19
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
1PDB
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BU of 1pdb by Molmil
Analysis of Three Crystal Structure Determinations of a 5-Methyl-6-N-Methylanilino Pyridopyrimidine Antifolate Complex with Human Dihydrofolate Reductase
Descriptor: Dihydrofolate reductase
Authors:Cody, V, Luft, J.R, Pangborn, W, Gangjee, A.
Deposit date:2003-05-19
Release date:2003-12-09
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Analysis of three crystal structure determinations of a 5-methyl-6-N-methylanilino pyridopyrimidine antifolate complex with human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 59, 2003
7K4Z
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BU of 7k4z by Molmil
Crystal structure of Kemp Eliminase HG3.17 in complex with the transition state analog 6-nitrobenzotriazole
Descriptor: 6-NITROBENZOTRIAZOLE, Endo-1,4-beta-xylanase, PENTAETHYLENE GLYCOL
Authors:Padua, R.A.P, Otten, R, Bunzel, A, Nguyen, V, Pitsawong, W, Patterson, M, Sui, S, Perry, S.L, Cohen, A.E, Hilvert, D, Kern, D.
Deposit date:2020-09-16
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:How directed evolution reshapes the energy landscape in an enzyme to boost catalysis.
Science, 370, 2020

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数据于2024-09-18公开中

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