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4EHR
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BU of 4ehr by Molmil
Crystal structure of Bcl-Xl complex with 4-(5-butyl-3-(hydroxymethyl)-1-phenyl-1h-pyrazol-4-yl)-3-(3,4-dihydro-2(1h)-isoquinolinylcarbonyl)-n-((2-(trimethylsilyl)ethyl)sulfonyl)benzamide
Descriptor: 4-[5-butyl-3-(hydroxymethyl)-1-phenyl-1H-pyrazol-4-yl]-3-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-N-{[2-(trimethylsilyl)ethyl]sulfonyl}benzamide, Bcl-2-like protein 1, IMIDAZOLE
Authors:Schroeder, G.M, Wei, D, Banfi, P, Cai, Z, Lippy, J, Menichincheri, M, Modugno, M, Naglich, J, Penhallow, B, Perez, H.L, Sack, J, Schmidt, R.J, Tebben, A, Yan, C, Zhang, L, Galvani, A, Lombardo, L.J, Borzilleri, R.M.
Deposit date:2012-04-03
Release date:2012-06-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Pyrazole and pyrimidine phenylacylsulfonamides as dual Bcl-2/Bcl-xL antagonists.
Bioorg.Med.Chem.Lett., 22, 2012
2Y6L
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BU of 2y6l by Molmil
Xylopentaose binding X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase
Descriptor: CALCIUM ION, XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M.
Deposit date:2011-01-24
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
2LDJ
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BU of 2ldj by Molmil
1H Chemical Shift Assignments and structure of Trp-Cage mini-protein with D-amino acid
Descriptor: Trp-Cage mini-protein
Authors:Granillo, A.R, Annavarapu, S, Zhang, L, Koder, R, Nanda, V.
Deposit date:2011-05-27
Release date:2011-11-23
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Computational Design of Thermostabilizing d-Amino Acid Substitutions.
J.Am.Chem.Soc., 133, 2011
7VWP
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BU of 7vwp by Molmil
Structure of the flavin-dependent monooxygenase FlsO1 from the biosynthesis of fluostatinsin
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, FlsO1, PHOSPHATE ION, ...
Authors:Zhang, Y, Yang, C, Zhang, L, Zhang, C.
Deposit date:2021-11-11
Release date:2022-09-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Biochemical and structural insights of multifunctional flavin-dependent monooxygenase FlsO1-catalyzed unexpected xanthone formation
Nat Commun, 13, 2022
3VPM
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BU of 3vpm by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
Descriptor: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
Authors:Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
Deposit date:2012-03-05
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Essential role of E106 in the proton-coupled electron transfer in human ribonucleotide reductase M2 subunit
To be Published
7EBS
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BU of 7ebs by Molmil
Crystal structure of juvenile hormone acid methyltransferase JHAMT from silkworm
Descriptor: Juvenile hormone acid methyltransferase
Authors:Guo, P.C, Zhang, Y.S, Zhang, L, Xu, H.Y, Xia, Q.Y.
Deposit date:2021-03-11
Release date:2021-09-29
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for juvenile hormone biosynthesis by the juvenile hormone acid methyltransferase.
J.Biol.Chem., 297, 2021
7EBX
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BU of 7ebx by Molmil
Crystal structure of juvenile hormone acid methyltransferase JHAMT in complex with S-adenosyl-L-homocysteine.
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, juvenile hormone acid methyltransferase
Authors:Guo, P.C, Zhang, Y.S, Zhang, L, Xu, H.Y, Xia, Q.Y.
Deposit date:2021-03-11
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Structural basis for juvenile hormone biosynthesis by the juvenile hormone acid methyltransferase.
J.Biol.Chem., 297, 2021
7EC0
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BU of 7ec0 by Molmil
Crystal structure of juvenile hormone acid methyltransferase JHAMT in complex with S-Adenosyl homocysteine and methyl farnesoate
Descriptor: Juvenile hormone acid methyltransferase, Methyl farnesoate, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Guo, P.C, Zhang, Y.S, Zhang, L, Xu, H.Y, Xia, Q.Y.
Deposit date:2021-03-11
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.494 Å)
Cite:Structural basis for juvenile hormone biosynthesis by the juvenile hormone acid methyltransferase.
J.Biol.Chem., 297, 2021
3KBS
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BU of 3kbs by Molmil
Room Temperature X-ray structure of D-Xylose Isomerase in complex with 2Cd(2+) co-factors
Descriptor: CADMIUM ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBV
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BU of 3kbv by Molmil
Room temperature structure of D-Xylose Isomerase in complex with 2Ni(2+) co-factors
Descriptor: NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBM
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BU of 3kbm by Molmil
Room Temperature X-ray structure of D-Xylose Isomerase complexed with 2Cd(2+) co-factors and d12-D-alpha-glucose in the cyclic form
Descriptor: CADMIUM ION, Xylose isomerase, alpha-D-glucopyranose
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3KBW
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BU of 3kbw by Molmil
Room temperature X-ray mixed-metal structure of D-Xylose Isomerase in complex with Ni(2+) and Mg(2+) co-factors
Descriptor: MAGNESIUM ION, NICKEL (II) ION, Xylose isomerase
Authors:Kovalevsky, A.Y, Hanson, L, Langan, P.
Deposit date:2009-10-20
Release date:2010-06-16
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Metal ion roles and the movement of hydrogen during reaction catalyzed by D-xylose isomerase: a joint x-ray and neutron diffraction study.
Structure, 18, 2010
3VPO
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BU of 3vpo by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
Descriptor: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
Authors:Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
Deposit date:2012-03-05
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Essential role of E106 in the proton-coupled electron transfer in human
to be published
2Y6J
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BU of 2y6j by Molmil
X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase
Descriptor: CALCIUM ION, XYLANASE
Authors:von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M.
Deposit date:2011-01-24
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
3VPN
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BU of 3vpn by Molmil
Crystal structure of human ribonucleotide reductase subunit M2 (hRRM2) mutant
Descriptor: FE (III) ION, MAGNESIUM ION, Ribonucleoside-diphosphate reductase subunit M2
Authors:Chen, X, Xu, Z, Liu, H, Zhang, L, Chen, B, Zhu, L, Yang, C, Zhu, W, Shao, J.
Deposit date:2012-03-05
Release date:2013-03-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Essential role of E106 in the proton-coupled electron transfer in human
to be published
7EJB
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BU of 7ejb by Molmil
Crystal structure of juvenile hormone acid methyltransferase JHAMT mutant Q15E
Descriptor: Juvenile hormone acid methyltransferase
Authors:Guo, P.C, Zhang, Y.S, Zhang, l, Xu, H.Y, Xia, Q.Y.
Deposit date:2021-04-01
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural insights into catalytic mechanism of juvenile hormone acid methyltransferase JHAMT
To Be Published
3D87
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BU of 3d87 by Molmil
Crystal structure of Interleukin-23
Descriptor: Interleukin-12 subunit p40, Interleukin-23 subunit p19, PHOSPHATE ION, ...
Authors:Beyer, B.M, Ingram, R, Ramanathan, L, Reichert, P, Le, H, Madison, V.
Deposit date:2008-05-22
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
3D85
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BU of 3d85 by Molmil
Crystal structure of IL-23 in complex with neutralizing FAB
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, FAB of antibody 7G10, heavy chain, ...
Authors:Beyer, B.M, Ingram, R, Ramanathan, L, Reichert, P, Le, H, Madison, V.
Deposit date:2008-05-22
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of the pro-inflammatory cytokine interleukin-23 and its complex with a high-affinity neutralizing antibody
J.Mol.Biol., 382, 2008
4MZ7
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BU of 4mz7 by Molmil
Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase
Descriptor: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ...
Authors:Zhu, C, Gao, W, Zhao, K, Qin, X, Zhang, Y, Peng, X, Zhang, L, Dong, Y, Zhang, W, Li, P, Wei, W, Gong, Y, Yu, X.F.
Deposit date:2013-09-29
Release date:2013-11-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insight into dGTP-dependent activation of tetrameric SAMHD1 deoxynucleoside triphosphate triphosphohydrolase
Nat Commun, 4, 2013
2Y6H
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BU of 2y6h by Molmil
X-2 L110F CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase
Descriptor: CALCIUM ION, XYLANASE
Authors:von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M.
Deposit date:2011-01-21
Release date:2012-03-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
7FA3
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BU of 7fa3 by Molmil
Selenomethionine-derived structure of Aca1 in Pseudomonas phage JBD30
Descriptor: Aca1
Authors:Liu, Y, Zhang, L, Wu, B, Huang, H.
Deposit date:2021-07-05
Release date:2021-07-21
Last modified:2022-02-02
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Structural basis for anti-CRISPR repression mediated by bacterial operon proteins Aca1 and Aca2.
J.Biol.Chem., 297, 2021
7EXS
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BU of 7exs by Molmil
Thermomicrobium roseum sarcosine oxidase mutant - S320R
Descriptor: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Xin, Y, Shen, C, Tang, M.W, Shi, Y, Guo, Z.T, Gu, Z.H, Shao, J, Zhang, L.
Deposit date:2021-05-28
Release date:2021-07-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Recreating the natural evolutionary trend in key microdomains provides an effective strategy for engineering of a thermomicrobial N-demethylase.
J.Biol.Chem., 298, 2022
2Y64
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BU of 2y64 by Molmil
Xylopentaose binding mutated (X-2 L110F) CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase
Descriptor: CALCIUM ION, XYLANASE, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M.
Deposit date:2011-01-19
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
2Y6K
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BU of 2y6k by Molmil
Xylotetraose bound to X-2 engineered mutated CBM4-2 Carbohydrate Binding Module from a Thermostable Rhodothermus marinus Xylanase
Descriptor: CALCIUM ION, CITRIC ACID, XYLANASE, ...
Authors:von Schantz, L, Hakansson, M, Logan, D.T, Walse, B, Osterlin, J, Nordberg-Karlsson, E, Ohlin, M.
Deposit date:2011-01-24
Release date:2012-03-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural basis for carbohydrate-binding specificity--a comparative assessment of two engineered carbohydrate-binding modules.
Glycobiology, 22, 2012
7CLA
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BU of 7cla by Molmil
Crystal structure of HTH-type transcriptional regulator SkgA from Caulobacter crescentus
Descriptor: HTH-type transcriptional regulator SkgA
Authors:Jiang, X, Zhang, L, Teng, M, Li, X.
Deposit date:2020-07-20
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Antibiotic binding releases autoinhibition of the TipA multidrug-resistance transcriptional regulator.
J.Biol.Chem., 295, 2020

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