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6DOO
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BU of 6doo by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2 mM Mg2+ and 100 mM K+ for 120 s at 21 C (dataset 2)
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of cleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of cleaved RNA (5'-R(*AP*CP*AP*UP*CP*G)-3'), ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
6DP0
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BU of 6dp0 by Molmil
Crystal Structure of Bacillus Halodurans Ribonuclease H1 in Complex with an RNA/DNA Hybrid: Reaction in 2.5 mM Mg2+ and 75 mM K+ for 40 s at 21 C
Descriptor: 1,2-ETHANEDIOL, 5'-R(*AP*CP*AP*U)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', 5'-R(P*CP*G)-3' portion of uncleaved RNA 5'-R(*AP*CP*AP*UP*CP*G)-3', ...
Authors:Samara, N.L, Yang, W.
Deposit date:2018-06-09
Release date:2018-08-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.451 Å)
Cite:Cation trafficking propels RNA hydrolysis.
Nat. Struct. Mol. Biol., 25, 2018
8IP1
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BU of 8ip1 by Molmil
Escherichia coli OpgD mutant-D388N with beta-1,2-glucan
Descriptor: DI(HYDROXYETHYL)ETHER, Glucans biosynthesis protein D, TRIETHYLENE GLYCOL, ...
Authors:Motouchi, S, Nakajima, M.
Deposit date:2023-03-13
Release date:2024-03-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Identification of enzymatic functions of osmo-regulated periplasmic glucan biosynthesis proteins from Escherichia coli reveals a novel glycoside hydrolase family.
Commun Biol, 6, 2023
6DS8
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BU of 6ds8 by Molmil
Crystal structure of MhuD R26S mutant with two Manganese protoporphyrin IX bound per active site
Descriptor: CHLORIDE ION, Heme-degrading monooxygenase HmoB, MANGANESE PROTOPORPHYRIN IX
Authors:Chao, A, Goulding, C.W.
Deposit date:2018-06-13
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of MhuD R26S mutant with two Manganese protoporphyrin IX bound per active site
To Be Published
8IWF
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BU of 8iwf by Molmil
Aspergillus niger Rha-2 and pNPR
Descriptor: (2S,3R,4R,5R,6S)-2-methyl-6-[4-[oxidanyl(oxidanylidene)-$l^4-azanyl]phenoxy]oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, L.J, Li, L, Wang, M.H, Jiang, Z.D, Zhu, Y.B, Jin, T.C, Ni, H.
Deposit date:2023-03-29
Release date:2024-04-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Crystal structure and catalytic function of alpha-L-rhamnosidase from Aspergillus niger
To Be Published
8IWD
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BU of 8iwd by Molmil
Aspergillus niger Rha-2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, L.J, Li, L, Wang, M.H, Jiang, Z.D, Zhu, Y.B, Jin, T.C, Ni, H.
Deposit date:2023-03-29
Release date:2024-04-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal structure and catalytic function of alpha-L-rhamnosidase from Aspergillus niger
To Be Published
9GER
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BU of 9ger by Molmil
Native dimeric Myeloperoxidase bound to nucleosome core particle, intermediate state; composite map
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Raisch, T, Burn, G.L, Tacke, S, Winkler, M, Prumbaum, D, Thee, S, Zychlinsky, A, Raunser, S.
Deposit date:2024-08-07
Release date:2025-08-06
Last modified:2025-10-01
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Myeloperoxidase transforms chromatin into neutrophil extracellular traps.
Nature, 2025
6DUI
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BU of 6dui by Molmil
Crystal structure of LpxC from Pseudomonas aeruginosa in complex with PT801
Descriptor: (2R)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide, (2S)-4-{4-[4-(benzyloxy)phenyl]-2-oxopyridin-1(2H)-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide, 1,2-ETHANEDIOL, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2018-06-20
Release date:2019-06-26
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of LpxC from Pseudomonas aeruginosa in complex with PT801
to be published
8IP2
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BU of 8ip2 by Molmil
Escherichia coli OpgG mutant-D361N with beta-1,2-glucan
Descriptor: Glucans biosynthesis protein G, beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose-(1-2)-beta-D-glucopyranose
Authors:Motouchi, S, Nakajima, M.
Deposit date:2023-03-13
Release date:2024-03-13
Last modified:2024-07-17
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Identification of enzymatic functions of osmo-regulated periplasmic glucan biosynthesis proteins from Escherichia coli reveals a novel glycoside hydrolase family.
Commun Biol, 6, 2023
8IOX
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BU of 8iox by Molmil
Escherichia coli OpgD mutant-D388N
Descriptor: Glucans biosynthesis protein D, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Motouchi, S, Nakajima, M.
Deposit date:2023-03-13
Release date:2024-03-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Identification of enzymatic functions of osmo-regulated periplasmic glucan biosynthesis proteins from Escherichia coli reveals a novel glycoside hydrolase family.
Commun Biol, 6, 2023
6D60
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BU of 6d60 by Molmil
Crystal structure of 3-hydroxyanthranilate-3,4-dioxygenase I142P from Cupriavidus metallidurans
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-hydroxyanthranilate 3,4-dioxygenase, FE (II) ION
Authors:Yang, Y, Liu, F, Liu, A.
Deposit date:2018-04-19
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Adapting to oxygen: 3-Hydroxyanthrinilate 3,4-dioxygenase employs loop dynamics to accommodate two substrates with disparate polarities.
J. Biol. Chem., 293, 2018
6DY7
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BU of 6dy7 by Molmil
WDR5 in complex with a WIN site inhibitor
Descriptor: DIMETHYL SULFOXIDE, N-[3-(2,4-dichlorophenoxy)propyl]-1H-imidazol-2-amine, SULFATE ION, ...
Authors:Phan, J, Wang, F, Fesik, S.W.
Deposit date:2018-07-01
Release date:2019-03-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Displacement of WDR5 from Chromatin by a WIN Site Inhibitor with Picomolar Affinity.
Cell Rep, 26, 2019
7SEG
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BU of 7seg by Molmil
Crystal structure of the complex of CD16A bound by an anti-CD16A Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ...
Authors:Kiefer, J.R, Wallweber, H.A, Polson, A.G.
Deposit date:2021-09-30
Release date:2021-11-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.156 Å)
Cite:A BCMA/CD16A bispecific innate cell engager for the treatment of multiple myeloma.
Leukemia, 36, 2022
6DAF
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BU of 6daf by Molmil
2.4 Angstrom crystal structure of the F141L Ca/CaM:CaV1.2 IQ domain complex
Descriptor: CALCIUM ION, Calmodulin-1, Voltage-dependent L-type calcium channel subunit alpha-1C
Authors:Wang, K, Van Petegem, F.
Deposit date:2018-05-01
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Arrhythmia mutations in calmodulin cause conformational changes that affect interactions with the cardiac voltage-gated calcium channel.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6D6Z
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BU of 6d6z by Molmil
Structure of the malate racemase apoprotein from Thermoanaerobacterium thermosaccharolyticum
Descriptor: Malate racemase Mar2
Authors:Fellner, M, Hausinger, R.P, Hu, J.
Deposit date:2018-04-23
Release date:2019-04-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Uncovering a superfamily of nickel-dependent hydroxyacid racemases and epimerases.
Sci Rep, 10, 2020
6DBN
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BU of 6dbn by Molmil
Jak1 with compound 23
Descriptor: Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
Authors:Vajdos, F.F.
Deposit date:2018-05-03
Release date:2018-08-29
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841).
J. Med. Chem., 61, 2018
6D7I
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BU of 6d7i by Molmil
CTX-M-14 Apoenzyme D233N Point Mutant
Descriptor: Beta-lactamase
Authors:Kemp, M, Nichols, D, Chen, Y.
Deposit date:2018-04-24
Release date:2019-07-24
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.001 Å)
Cite:The Role of Asp-Asp Short Hydrogen Bond in Maintaining Active Site Integrity of CTX-M Beta-Lactamase
To be Published
6D9L
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BU of 6d9l by Molmil
Ternary RsAgo Complex with Guide RNA and Target DNA Containing G-A Non-canonical Pair
Descriptor: DNA (5'-D(P*TP*CP*GP*TP*CP*AP*CP*CP*TP*GP*AP*GP*CP*AP*GP*TP*AP*AP*C)-3'), MAGNESIUM ION, RNA (5'-R(P*UP*UP*AP*CP*UP*GP*CP*GP*CP*AP*GP*GP*UP*GP*AP*CP*GP*A)-3'), ...
Authors:Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J.
Deposit date:2018-04-30
Release date:2018-07-25
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA.
Cell Rep, 24, 2018
6DAE
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BU of 6dae by Molmil
2.0 Angstrom crystal structure of the D95V Ca/CaM:CaV1.2 IQ domain complex
Descriptor: CALCIUM ION, Calmodulin-1, Voltage-dependent L-type calcium channel subunit alpha-1C
Authors:Wang, K, Lu, J, Van Petegem, F.
Deposit date:2018-05-01
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2 Å)
Cite:Arrhythmia mutations in calmodulin cause conformational changes that affect interactions with the cardiac voltage-gated calcium channel.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
1LZJ
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BU of 1lzj by Molmil
Glycosyltransferase B + UDP + H antigen acceptor
Descriptor: Glycosyltransferase B, MANGANESE (II) ION, MERCURY (II) ION, ...
Authors:Patenaude, S.I, Seto, N.O.L, Borisova, S.N, Szpacenko, A, Marcus, S.L, Palcic, M.M, Evans, S.V.
Deposit date:2002-06-10
Release date:2002-08-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.32 Å)
Cite:The structural basis for specificity in human ABO(H) blood group biosynthesis.
Nat.Struct.Biol., 9, 2002
6DAZ
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BU of 6daz by Molmil
X-ray crystal structure of VioC bound to Fe(II), 3S-hydroxy-L-homoarginine, and succinate
Descriptor: (3S)-N~6~-carbamimidoyl-3-hydroxy-L-lysine, Alpha-ketoglutarate-dependent L-arginine hydroxylase, FE (II) ION, ...
Authors:Dunham, N.P, Mitchell, A.J, Boal, A.K.
Deposit date:2018-05-02
Release date:2018-05-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Two Distinct Mechanisms for C-C Desaturation by Iron(II)- and 2-(Oxo)glutarate-Dependent Oxygenases: Importance of alpha-Heteroatom Assistance.
J. Am. Chem. Soc., 140, 2018
6DB3
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BU of 6db3 by Molmil
JAK3 with Cyanamide CP23
Descriptor: Tyrosine-protein kinase JAK3, [(1S)-1-methyl-6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl]cyanamide
Authors:Vajdos, F.F.
Deposit date:2018-05-02
Release date:2018-11-28
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Identification of Cyanamide-Based Janus Kinase 3 (JAK3) Covalent Inhibitors.
J. Med. Chem., 61, 2018
6DDI
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BU of 6ddi by Molmil
Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue
Descriptor: 1,2-ETHANEDIOL, 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile, Bromodomain-containing protein 2, ...
Authors:White, S.W, Yun, M.
Deposit date:2018-05-10
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Cancer Res., 80, 2020
6DBE
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BU of 6dbe by Molmil
Crystal Structure of VHH R330
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, nanobody VHH R303
Authors:Brooks, C.L, Toride King, M, Huh, I.
Deposit date:2018-05-03
Release date:2018-07-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis of VHH-mediated neutralization of the food-borne pathogenListeria monocytogenes.
J. Biol. Chem., 293, 2018
6DCB
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BU of 6dcb by Molmil
Structure of methylphosphate capping enzyme methyltransferase domain in complex with 5' end of 7SK RNA
Descriptor: 7SK snRNA methylphosphate capping enzyme, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Yang, Y, Eichhorn, C, Cascio, D, Feigon, J.
Deposit date:2018-05-04
Release date:2018-12-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural basis of 7SK RNA 5'-gamma-phosphate methylation and retention by MePCE.
Nat. Chem. Biol., 15, 2019

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数据于2025-10-29公开中

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