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1BVR
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BU of 1bvr by Molmil
M.TB. ENOYL-ACP REDUCTASE (INHA) IN COMPLEX WITH NAD+ AND C16-FATTY-ACYL-SUBSTRATE
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PROTEIN (ENOYL-ACYL CARRIER PROTEIN (ACP) REDUCTASE), TRANS-2-HEXADECENOYL-(N-ACETYL-CYSTEAMINE)-THIOESTER
Authors:Rozwarski, D.A, Vilcheze, C, Sugantino, M, Bittman, R, Jacobs, W, TB Structural Genomics Consortium (TBSGC)
Deposit date:1998-09-17
Release date:1999-09-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the Mycobacterium tuberculosis enoyl-ACP reductase, InhA, in complex with NAD+ and a C16 fatty acyl substrate.
J.Biol.Chem., 274, 1999
8QZ1
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BU of 8qz1 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with a nanobody (Nb58)
Descriptor: Isoform B of Potassium channel subfamily K member 10, Nanobody 58, POTASSIUM ION
Authors:Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.588 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
8QZ2
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BU of 8qz2 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an inhibitory nanobody (Nb61)
Descriptor: Nanobody 61, POTASSIUM ION, Potassium channel subfamily K member 10
Authors:Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
8QZ3
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BU of 8qz3 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb67)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Nanobody 67, POTASSIUM ION, ...
Authors:Baronina, A, Pike, A.C.W, Rodstrom, K.E.J, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
8QZ4
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BU of 8qz4 by Molmil
Crystal structure of human two pore domain potassium ion channel TREK-2 (K2P10.1) in complex with an activatory nanobody (Nb76)
Descriptor: BARIUM ION, CHOLESTEROL HEMISUCCINATE, Nanobody 76, ...
Authors:Rodstrom, K.E.J, Pike, A.C.W, Baronina, A, Ang, J, Bushell, S.R, Chalk, R, Mukhopadhyay, S.M.M, Pardon, E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Burgess-Brown, N.A, Tucker, S.J, Steyaert, J, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2023-10-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Extracellular modulation of TREK-2 activity with nanobodies provides insight into the mechanisms of K2P channel regulation.
Nat Commun, 15, 2024
4XYJ
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BU of 4xyj by Molmil
Crystal structure of human phosphofructokinase-1 in complex with ATP and Mg, Northeast Structural Genomics Consortium Target HR9275
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent 6-phosphofructokinase, platelet type, ...
Authors:Forouhar, F, Webb, B.A, Szu, F.-E, Seetharaman, J, Barber, D.L, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2015-02-02
Release date:2015-05-20
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of human phosphofructokinase-1 and atomic basis of cancer-associated mutations.
Nature, 523, 2015
4RZP
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BU of 4rzp by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium (NESG) Target OR366.
Descriptor: Engineered Protein OR366
Authors:Vorobiev, S, Parmeggiani, F, Dimaio, F, Seetharaman, J, Sahdev, S, Xiao, R, Kogan, S, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-12-23
Release date:2015-01-07
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Crystal Structure of Engineered Protein OR366
To be Published
4RMM
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BU of 4rmm by Molmil
Crystal Structure of the Q7NVP2_CHRVO protein from Chromobacterium violaceum. Northeast Structural Genomics Consortium Target CvR191
Descriptor: Putative uncharacterized protein
Authors:Vorobiev, S, Su, M, Seetharaman, J, Mao, L, Xiao, R, Ciccosanti, C, Foote, E.L, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-10-21
Release date:2014-11-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of the Q7NVP2_CHRVO protein from Chromobacterium violaceum.
To be Published
4RV1
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BU of 4rv1 by Molmil
Crystal Structure of Engineered Protein. Northeast Structural Genomics Consortium (NESG) Target OR497.
Descriptor: ACETATE ION, Engineered Protein OR497
Authors:Vorobiev, S, Parmeggiani, F, Seetharaman, J, Xiao, R, Everett, J.K, Acton, T.B, Baker, D, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-11-24
Release date:2014-12-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.573 Å)
Cite:Crystal Structure of Engineered Protein OR497.
To be Published
4RL6
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BU of 4rl6 by Molmil
Crystal Structure of the Q04L03_STRP2 protein from Streptococcus pneumoniae. Northeast Structural Genomics Consortium Target SpR105
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Saccharopine dehydrogenase
Authors:Vorobiev, S, Neely, H.M, Odukwe, C.D, Seetharaman, J, Mao, L, Xiao, R, Kohan, E, Wang, D, Everett, J.K, Acton, T.B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2014-10-15
Release date:2014-11-05
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structure of the Q04L03_STRP2 protein from Streptococcus pneumoniae.
To be Published
7FEO
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BU of 7feo by Molmil
Crystal structure of AtMBD5 MBD domain
Descriptor: Methyl-CpG-binding domain-containing protein 5, SULFATE ION
Authors:Zhou, M.Q, Wu, Z.B, Liu, K, Min, J.R, Structural Genomics Consortium (SGC)
Deposit date:2021-07-21
Release date:2021-12-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Family-wide Characterization of Methylated DNA Binding Ability of Arabidopsis MBDs.
J.Mol.Biol., 434, 2022
7TZD
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BU of 7tzd by Molmil
Solution NMR of the specialized apo-acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, refined without RDCs. Northeast Structural Genomics Consortium Target RpR324
Descriptor: Specialized acyl carrier protein
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2022-02-15
Release date:2022-08-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:AlphaFold Models of Small Proteins Rival the Accuracy of Solution NMR Structures.
Front Mol Biosci, 9, 2022
7TZ8
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BU of 7tz8 by Molmil
Solution NMR structure of the PBS linker polypeptide domain (fragment 254-400) of phycobilisome linker protein ApcE from Synechocystis sp. PCC 6803 refined with NH RDCs. Northeast Structural Genomics Consortium Target SgR209C
Descriptor: Phycobiliprotein ApcE
Authors:Ramelot, T.A, Tejero, R, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2022-02-15
Release date:2022-08-10
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:AlphaFold Models of Small Proteins Rival the Accuracy of Solution NMR Structures.
Front Mol Biosci, 9, 2022
4W9W
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BU of 4w9w by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with small molecule AZD-7762
Descriptor: 1,2-ETHANEDIOL, 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, BMP-2-inducible protein kinase
Authors:Sorrell, F.J, Elkins, J.M, Krojer, T, Savitsky, P, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-08-28
Release date:2014-09-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
4W9X
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BU of 4w9x by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with baricitinib
Descriptor: 1,2-ETHANEDIOL, BMP-2-inducible protein kinase, Baricitinib
Authors:Sorrell, F.J, Elkins, J.M, Krojer, T, Williams, E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-08-28
Release date:2014-09-10
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
1EO1
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BU of 1eo1 by Molmil
Solution structure of hypothetical protein MTH1175 from Methanobacterium thermoautotrophicum
Descriptor: HYPOTHETICAL PROTEIN MTH1175
Authors:Cort, J.R, Arrowsmith, C.H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG)
Deposit date:2000-03-21
Release date:2000-12-20
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:NMR Structure Determination and Structure-Based Functional Characterization of Conserved Hypothetical Protein MTH1175 from Methanobacterium Thermoautotrophicum
J.STRUCT.FUNCT.GENOM., 1, 2000
4WCW
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BU of 4wcw by Molmil
Ribosomal silencing factor during starvation or stationary phase (RsfS) from Mycobacterium tuberculosis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, MAGNESIUM ION, Ribosomal silencing factor RsfS
Authors:Li, X, Sun, Q, Jiang, C, Yang, K, Hung, L, Zhang, J, Sacchettini, J, TB Structural Genomics Consortium (TBSGC)
Deposit date:2014-09-05
Release date:2014-09-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure of Ribosomal Silencing Factor Bound to Mycobacterium tuberculosis Ribosome.
Structure, 23, 2015
7KBQ
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BU of 7kbq by Molmil
Solution NMR Structure of DE NOVO DESIGNED Rossmann 3x3 Fold Protein r3x3_bp3, Northeast Structural Genomics Consortium (NESG) Target OR689
Descriptor: DE NOVO DESIGNED OR689
Authors:Liu, G, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2020-10-02
Release date:2021-05-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Role of backbone strain in de novo design of complex alpha/beta protein structures Accurate de novo design of asymetric alpha/beta proteins with ten or more secondary structure elements requires consideration of backbone strain Design principle proposed from designed larger alpha/beta-proteins not folded as designed: Consistency between local, non-local, and global structures
To Be Published
4XT8
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BU of 4xt8 by Molmil
Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+ and trimetrexate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-23
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
4XT7
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BU of 4xt7 by Molmil
Crystal structure of Rv2671 from Mycobacterium tuberculosis in complex with NADP+ and trimethoprim
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Sacchettini, J.C, Cheng, Y.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-23
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
4XRB
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BU of 4xrb by Molmil
Crystal structure of Rv2671 from Mycobacterium tuberculosis
Descriptor: DI(HYDROXYETHYL)ETHER, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, RV2671
Authors:Cheng, Y.S, Sacchettini, J.C, TB Structural Genomics Consortium (TBSGC)
Deposit date:2015-01-20
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into Mycobacterium tuberculosis Rv2671 Protein as a Dihydrofolate Reductase Functional Analogue Contributing to para-Aminosalicylic Acid Resistance.
Biochemistry, 55, 2016
8G5E
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BU of 8g5e by Molmil
Crystal Structure of SETDB1 Tudor domain in complex with UNC6535
Descriptor: Histone-lysine N-methyltransferase SETDB1, N~4~-[6-(dimethylamino)hexyl]-N~2~-[5-(dimethylamino)pentyl]-6,7-dimethoxyquinazoline-2,4-diamine, UNKNOWN ATOM OR ION
Authors:Beldar, S, Dong, A, Brown, P.J, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-02-13
Release date:2023-02-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Crystal Structure of SETDB1 Tudor domain in complex with UNC6535
To be published
8G2F
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BU of 8g2f by Molmil
Crystal Structure of PRMT3 with Compound II710
Descriptor: 5'-S-[3-(N'-benzylcarbamimidamido)propyl]-5'-thioadenosine, Protein arginine N-methyltransferase 3
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-02-03
Release date:2023-05-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
8G2I
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BU of 8g2i by Molmil
Crystal Structure of PRMT4 with Compound YD1290
Descriptor: 5'-([2-(benzylcarbamamido)ethyl]{3-[N'-(3-bromophenyl)carbamimidamido]propyl}amino)-5'-deoxyadenosine, Histone-arginine methyltransferase CARM1, UNKNOWN ATOM OR ION
Authors:Song, X, Dong, A, Deng, Y, Huang, R, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2023-02-03
Release date:2024-02-21
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:A unique binding pocket induced by a noncanonical SAH mimic to develop potent and selective PRMT inhibitors.
Acta Pharm Sin B, 13, 2023
4U7D
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BU of 4u7d by Molmil
Structure of human RECQ-like helicase in complex with an oligonucleotide
Descriptor: ATP-dependent DNA helicase Q1, DNA oligonucleotide, ZINC ION
Authors:Pike, A.C.W, Zhang, Y, Schnecke, C, Cooper, C.D.O, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O, Structural Genomics Consortium (SGC)
Deposit date:2014-07-30
Release date:2015-01-21
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Human RECQ1 helicase-driven DNA unwinding, annealing, and branch migration: Insights from DNA complex structures.
Proc.Natl.Acad.Sci.USA, 112, 2015

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數據於2024-05-29公開中

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