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5ESV
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BU of 5esv by Molmil
Crystal Structure of Broadly Neutralizing Antibody CH03, Isolated from Donor CH0219, in Complex with Scaffolded Trimeric HIV-1 Env V1V2 Domain from the Clade C Superinfecting Strain of Donor CAP256.
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase,Envelope glycoprotein gp160, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gorman, J, Yang, M, Kwong, P.D.
Deposit date:2015-11-17
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.105 Å)
Cite:Structures of HIV-1 Env V1V2 with broadly neutralizing antibodies reveal commonalities that enable vaccine design.
Nat.Struct.Mol.Biol., 23, 2016
7PWJ
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BU of 7pwj by Molmil
dUTPase from human in complex with Stl
Descriptor: 1,2-ETHANEDIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, ...
Authors:Sanz-Frasquet, C, Marina, A.
Deposit date:2021-10-06
Release date:2022-12-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.944 Å)
Cite:The Bacteriophage-Phage-Inducible Chromosomal Island Arms Race Designs an Interkingdom Inhibitor of dUTPases.
Microbiol Spectr, 11, 2023
7PWX
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BU of 7pwx by Molmil
dUTPase from M. tuberculosis in complex with Stl
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Marina, A, Sanz-Frasquet, C.
Deposit date:2021-10-07
Release date:2022-12-28
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Bacteriophage-Phage-Inducible Chromosomal Island Arms Race Designs an Interkingdom Inhibitor of dUTPases.
Microbiol Spectr, 11, 2023
5ESZ
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BU of 5esz by Molmil
Crystal Structure of Broadly Neutralizing Antibody CH04, Isolated from Donor CH0219, in Complex with Scaffolded Trimeric HIV-1 Env V1V2 Domain from the Clade AE Strain A244
Descriptor: 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase,Envelope glycoprotein gp160, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CH04 Heavy Chain, ...
Authors:Gorman, J, Yang, M, Kwong, P.D.
Deposit date:2015-11-17
Release date:2015-12-16
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.191 Å)
Cite:Structures of HIV-1 Env V1V2 with broadly neutralizing antibodies reveal commonalities that enable vaccine design.
Nat. Struct. Mol. Biol., 23, 2016
5FYJ
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BU of 5fyj by Molmil
Crystal Structure at 3.4 A Resolution of Fully Glycosylated HIV-1 Clade G X1193.c1 SOSIP.664 Prefusion Env Trimer in Complex with Broadly Neutralizing Antibodies PGT122, 35O22 and VRC01
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:Stewart-Jones, G.B.E, Zhou, T, Thomas, P.V, Kwong, P.D.
Deposit date:2016-03-08
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Trimeric HIV-1-Env Structures Define Glycan Shields from Clades A, B and G
Cell(Cambridge,Mass.), 165, 2016
5FYK
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BU of 5fyk by Molmil
Crystal Structure at 3.7 A Resolution of Fully Glycosylated HIV-1 Clade B JR-FL SOSIP.664 Prefusion Env Trimer in Complex with Broadly Neutralizing Antibodies PGT122, 35O22 and VRC01
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22, ...
Authors:Stewart-Jones, G.B.E, Zhou, T, Thomas, P.V, Kwong, P.D.
Deposit date:2016-03-08
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.107 Å)
Cite:Trimeric HIV-1-Env Structures Define Glycan Shields from Clades A, B and G
Cell(Cambridge,Mass.), 165, 2016
5FYL
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BU of 5fyl by Molmil
Crystal Structure at 3.7 A Resolution of Fully Glycosylated HIV-1 Clade A BG505 SOSIP.664 Prefusion Env Trimer in Complex with Broadly Neutralizing Antibodies PGT122 and 35O22
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 ANTIBODY FAB HEAVY CHAIN, ...
Authors:Stewart-Jones, G.B.E, Zhou, T, Thomas, P.V, Kwong, P.D.
Deposit date:2016-03-08
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Trimeric HIV-1-Env Structures Define Glycan Shields from Clades A, B and G
Cell(Cambridge,Mass.), 165, 2016
5E2P
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BU of 5e2p by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide
Descriptor: 1,2-ETHANEDIOL, Coagulation factor XIa light chain, N-[(1S)-1-benzyl-2-[2-[5-chloro-2-(tetrazol-1-yl)phenyl]ethylamino]-2-oxo-ethyl]-4-hydroxy-2-oxo-1H-quinoline-6-carboxamide, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2016-01-20
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
5E2O
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BU of 5e2o by Molmil
FACTOR XIA IN COMPLEX WITH THE INHIBITOR 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid
Descriptor: 1,2-ETHANEDIOL, 4-[(N-{(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}-L-phenylalanyl)amino]benzoic acid, Coagulation factor XIa light chain, ...
Authors:Wei, A.
Deposit date:2015-10-01
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Novel phenylalanine derived diamides as Factor XIa inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
8J0K
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BU of 8j0k by Molmil
Crystal structure of human TFAP2A in complex with DNA
Descriptor: DNA (5'-D(*CP*TP*GP*CP*CP*TP*CP*GP*GP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*CP*CP*GP*AP*GP*GP*CP*AP*G)-3'), GLYCEROL, ...
Authors:Liu, K, Xiao, Y.Q, Li, W.F, Min, J.R.
Deposit date:2023-04-11
Release date:2023-07-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
8J0Q
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BU of 8j0q by Molmil
Structure of DNA binding domain of human TFAP2B
Descriptor: GLYCEROL, Transcription factor AP-2-beta
Authors:Liu, K, Xiao, Y.Q, Li, W.F, Min, J.R.
Deposit date:2023-04-11
Release date:2023-07-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
8J0L
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BU of 8j0l by Molmil
Structure of DNA binding Domain of Human TFAP2A
Descriptor: GLYCEROL, Transcription factor AP-2-alpha
Authors:Liu, K, Xiao, Y.Q, Gan, L.Y, Min, J.R.
Deposit date:2023-04-11
Release date:2023-07-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
8J0R
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BU of 8j0r by Molmil
Structure of human TFAP2A in complex with DNA
Descriptor: DI(HYDROXYETHYL)ETHER, DNA (5'-D(*CP*TP*GP*CP*CP*TP*CP*AP*GP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*CP*TP*GP*AP*GP*GP*CP*AP*G)-3'), ...
Authors:Liu, K, Xiao, Y.Q, Li, W.F, Min, J.R.
Deposit date:2023-04-11
Release date:2023-07-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for specific DNA sequence motif recognition by the TFAP2 transcription factors.
Nucleic Acids Res., 51, 2023
8K3D
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BU of 8k3d by Molmil
Crystal structure of NRF1 DBD bound to DNA
Descriptor: DNA (5'-D(*GP*GP*TP*GP*CP*GP*CP*AP*TP*GP*CP*GP*CP*AP*CP*C)-3'), Nuclear respiratory factor 1
Authors:Li, W.F, Liu, K, Min, J.R.
Deposit date:2023-07-15
Release date:2023-12-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
8K4L
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BU of 8k4l by Molmil
Crystal structure of NRF1 homodimer in complex with DNA
Descriptor: DNA (14-MER), GLYCEROL, Nuclear respiratory factor 1
Authors:Liu, K, Li, W.F, Min, J.R.
Deposit date:2023-07-19
Release date:2023-12-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
8K89
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BU of 8k89 by Molmil
Crystal structure of NFIL3
Descriptor: Nuclear factor interleukin-3-regulated protein
Authors:Min, J.R, Chen, S.Z, Liu, K.
Deposit date:2023-07-29
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
8K8D
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BU of 8k8d by Molmil
Crystal structure of C/EBPbeta BZIP domain bound to a high affinity DNA
Descriptor: CCAAT/enhancer-binding protein beta, DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*G)-3')
Authors:Min, J.R, Chen, S.Z, Liu, K.
Deposit date:2023-07-29
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
8K8C
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BU of 8k8c by Molmil
Crystal structure of C/EBPalpha BZIP domain bound to a high affinity DNA
Descriptor: CCAAT/enhancer-binding protein alpha, DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*GP*A)-3'), DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*GP*T)-3'), ...
Authors:Min, J.R, Chen, S.Z, Liu, K.
Deposit date:2023-07-29
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
8K86
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BU of 8k86 by Molmil
Crystal structure of NFIL3 in complex with TTATGTAA DNA
Descriptor: DNA (5'-D(*CP*AP*TP*TP*AP*TP*GP*TP*AP*AP*CP*G)-3'), DNA (5'-D(*CP*GP*TP*TP*AP*CP*AP*TP*AP*AP*TP*G)-3'), Nuclear factor interleukin-3-regulated protein
Authors:Min, J.R, Chen, S.Z, Liu, K.
Deposit date:2023-07-28
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
8K8A
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BU of 8k8a by Molmil
Crystal structure of NFIL3 in complex with TTACGTAA DNA
Descriptor: DNA (5'-D(*CP*AP*TP*TP*AP*CP*GP*TP*AP*AP*TP*G)-3'), Nuclear factor interleukin-3-regulated protein
Authors:Min, J.R, Chen, S.Z, Liu, K.
Deposit date:2023-07-29
Release date:2024-03-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis for specific DNA sequence recognition by the transcription factor NFIL3.
J.Biol.Chem., 300, 2024
1EAT
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BU of 1eat by Molmil
NONPEPTIDIC INHIBITORS OF HUMAN LEUKOCYTE ELASTASE. 5. DESIGN, SYNTHESIS, AND X-RAY CRYSTALLOGRAPHY OF A SERIES OF ORALLY ACTIVE 5-AMINO-PYRIMIDIN-6-ONE-CONTAINING TRIFLUOROMETHYLKETONES
Descriptor: 2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE, PORCINE PANCREATIC ELASTASE, SODIUM ION, ...
Authors:Ceccarelli, C.
Deposit date:1994-11-22
Release date:1995-02-07
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Nonpeptidic inhibitors of human leukocyte elastase. 5. Design, synthesis, and X-ray crystallography of a series of orally active 5-aminopyrimidin-6-one-containing trifluoromethyl ketones.
J.Med.Chem., 38, 1995
4EEV
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BU of 4eev by Molmil
Crystal structure of c-Met in complex with LY2801653
Descriptor: Hepatocyte growth factor receptor, N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
Authors:Wang, Y, Stout, S.L.
Deposit date:2012-03-28
Release date:2013-04-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:LY2801653 is an orally bioavailable multi-kinase inhibitor with potent activity against MET, MST1R, and other oncoproteins, and displays anti-tumor activities in mouse xenograft models.
Invest New Drugs, 31, 2013
7AYY
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BU of 7ayy by Molmil
Structure of the human 8-oxoguanine DNA Glycosylase hOGG1 in complex with activator TH10785
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, N-glycosylase/DNA lyase, ...
Authors:Masuyer, G, Davies, J.R, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
7AYZ
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BU of 7ayz by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with activator TH10785
Descriptor: N-glycosylase/DNA lyase, NICKEL (II) ION, ~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine
Authors:Masuyer, G, Davies, J.R, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022
7AZ0
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BU of 7az0 by Molmil
Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with TH12161
Descriptor: 2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine, N-glycosylase/DNA lyase, NICKEL (II) ION
Authors:Davies, J.R, Masuyer, G, Stenmark, P.
Deposit date:2020-11-13
Release date:2022-06-01
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Small-molecule activation of OGG1 increases oxidative DNA damage repair by gaining a new function.
Science, 376, 2022

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数据于2024-07-17公开中

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