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7UJE
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BU of 7uje by Molmil
Integrin alaphIIBbeta3 complex with UR2922 in Mn2+
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-03-30
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.499968 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UE0
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BU of 7ue0 by Molmil
Integrin alaphIIBbeta3 complex with fradafiban
Descriptor: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-03-20
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.741962 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UKP
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BU of 7ukp by Molmil
Integrin alaphIIBbeta3 complex with a gantofiban analog
Descriptor: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-04-01
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.80112982 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7UBR
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BU of 7ubr by Molmil
Integrin alaphIIBbeta3 complex with GR144053
Descriptor: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-03-15
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.04992747 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7MMO
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BU of 7mmo by Molmil
LY-CoV1404 neutralizing antibody against SARS-CoV-2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, LY-CoV1404 Fab heavy chain, LY-CoV1404 Fab light chain, ...
Authors:Hendle, J, Pustilnik, A, Sauder, J.M, Coleman, K.A, Boyles, J.S, Dickinson, C.D.
Deposit date:2021-04-30
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.427 Å)
Cite:LY-CoV1404 (bebtelovimab) potently neutralizes SARS-CoV-2 variants.
Biorxiv, 2022
6O8L
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BU of 6o8l by Molmil
Crystal Structure of C9S apo and reduced Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: Transcriptional regulator, ArsR family
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
7UH8
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BU of 7uh8 by Molmil
Integrin alaphIIBbeta3 complex with roxifiban (Mn/Ca)
Descriptor: 10E5 Fab heavy chain, 10E5 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, F.-Y, Zhu, J, Zhu, J, Springer, T.A.
Deposit date:2022-03-25
Release date:2022-08-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.750024 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
5UTS
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BU of 5uts by Molmil
Carbon Sulfoxide lyase, Egt2 in the Ergothioneine biosynthesis pathway
Descriptor: C-S Lyase Egt2, FORMIC ACID
Authors:Irani, S, Zhang, Y.
Deposit date:2017-02-15
Release date:2018-02-21
Last modified:2019-03-20
Method:X-RAY DIFFRACTION (2.303 Å)
Cite:Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
5JHL
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BU of 5jhl by Molmil
Crystal structure of zika virus envelope protein in complex with a flavivirus broadly-protective antibody
Descriptor: Antibody Heavy chain, antibody Light chain, envelope protein
Authors:Dai, L, Shi, Y, Qi, J, Gao, G.F.
Deposit date:2016-04-21
Release date:2016-05-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structures of the Zika Virus Envelope Protein and Its Complex with a Flavivirus Broadly Protective Antibody.
Cell Host Microbe, 19, 2016
8UAI
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BU of 8uai by Molmil
Crystal structure of hetero hexameric hazelnut allergen Cor a 9
Descriptor: 11S globulin 1, 11S globulin 2, 11S globulin 3, ...
Authors:Zhang, Y.Z, Guo, F.
Deposit date:2023-09-21
Release date:2024-05-15
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of hetero hexameric 11S seed storage protein of hazelnut.
Plant Physiol Biochem., 210, 2024
4ZH2
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BU of 4zh2 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBR703
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Feng, Y, Ebright, R.H.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.204 Å)
Cite:Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
7CGW
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BU of 7cgw by Molmil
Complex structure of PD-1 and tislelizumab Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of tislelizumab Fab, Light chain of tislelizumab Fab, ...
Authors:Hong, Y, Feng, Y.C, Liu, Y.
Deposit date:2020-07-02
Release date:2021-04-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Tislelizumab uniquely binds to the CC' loop of PD-1 with slow-dissociated rate and complete PD-L1 blockage.
Febs Open Bio, 11, 2021
8HIH
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BU of 8hih by Molmil
Cryo-EM structure of Mycobacterium tuberculosis transcription initiation complex with transcription factor GlnR
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Lin, W, Shi, J, Xu, J.C.
Deposit date:2022-11-20
Release date:2023-06-07
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.66 Å)
Cite:Structural insights into the transcription activation mechanism of the global regulator GlnR from actinobacteria.
Proc.Natl.Acad.Sci.USA, 120, 2023
6O8O
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BU of 6o8o by Molmil
Crystal Structure of C9S disulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: CHLORIDE ION, SULFATE ION, Transcriptional regulator, ...
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2020-12-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
6O8K
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BU of 6o8k by Molmil
Crystal Structure of apo and reduced Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus.
Descriptor: GLYCEROL, SULFATE ION, Transcriptional regulator, ...
Authors:Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P.
Deposit date:2019-03-11
Release date:2020-04-01
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
4ZH3
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BU of 4zh3 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBRH16-Br
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Feng, Y, Ebright, R.H.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (4.082 Å)
Cite:Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
5V12
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BU of 5v12 by Molmil
Crystal structure of Carbon Sulfoxide lyase, Egt2 Y134F with sulfenic acid intermediate
Descriptor: (1S)-1-carboxy-2-[2-(hydroxysulfanyl)-1H-imidazol-4-yl]-N,N,N-trimethylethan-1-aminium, FORMIC ACID, Hercynylcysteine sulfoxide lyase
Authors:Irani, S, Zhang, Y.
Deposit date:2017-03-01
Release date:2018-03-07
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.451 Å)
Cite:Snapshots of C-S Cleavage in Egt2 Reveals Substrate Specificity and Reaction Mechanism.
Cell Chem Biol, 25, 2018
4ZH4
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BU of 4zh4 by Molmil
Crystal structure of Escherichia coli RNA polymerase in complex with CBRP18
Descriptor: 5-(4-fluorophenyl)-4-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole, DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ...
Authors:Feng, Y, Ebright, R.H.
Deposit date:2015-04-24
Release date:2015-08-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.993 Å)
Cite:Structural Basis of Transcription Inhibition by CBR Hydroxamidines and CBR Pyrazoles.
Structure, 23, 2015
6AEI
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BU of 6aei by Molmil
Cryo-EM structure of the receptor-activated TRPC5 ion channel
Descriptor: 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE, CHOLESTEROL HEMISUCCINATE, SODIUM ION, ...
Authors:Duan, J, Li, Z, Li, J, Zhang, J.
Deposit date:2018-08-05
Release date:2019-08-07
Last modified:2019-08-14
Method:ELECTRON MICROSCOPY (2.89 Å)
Cite:Cryo-EM structure of TRPC5 at 2.8- angstrom resolution reveals unique and conserved structural elements essential for channel function.
Sci Adv, 5, 2019
4Q2Q
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BU of 4q2q by Molmil
ZO1 PDZ3 in Complex with a Phage-Derived Peptide
Descriptor: Tight junction protein ZO-1
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2014-04-09
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A structural portrait of the PDZ domain family.
J.Mol.Biol., 426, 2014
4Q2O
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BU of 4q2o by Molmil
PDLIM4 PDZ in Complex with a Phage-Derived Peptide
Descriptor: PDZ and LIM domain protein 4
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2014-04-09
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A structural portrait of the PDZ domain family.
J.Mol.Biol., 426, 2014
8SHJ
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BU of 8shj by Molmil
Crystal structure of the WD-repeat domain of human WDR91 in complex with MR45279
Descriptor: N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide, WD repeat-containing protein 91
Authors:Ahmad, H, Zeng, H, Dong, A, Li, Y, Hutchinson, A, Seitova, A, Xu, J, Feng, J.W, Brown, P.J, Ackloo, S, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2023-04-14
Release date:2023-07-05
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning.
J.Med.Chem., 66, 2023
4Q05
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BU of 4q05 by Molmil
Crystal structure of an esterase E25
Descriptor: SODIUM ION, esterase E25
Authors:Li, P.Y, Li, C.Y, Zhang, Y.Z.
Deposit date:2014-03-31
Release date:2014-06-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural basis for dimerization and catalysis of a novel esterase from the GTSAG motif subfamily of the bacterial hormone-sensitive lipase family
J.Biol.Chem., 289, 2014
3NXS
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BU of 3nxs by Molmil
Crystal structure of LAO/AO transport system from Mycobacterium smegmatis bound to GDP
Descriptor: CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, LAO/AO transport system ATPase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-07-14
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of Mycobacterial MeaB and MMAA-like GTPases
J.Struct.Funct.Genom., 16, 2015
4Q2P
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BU of 4q2p by Molmil
NHERF3 PDZ2 in Complex with a Phage-Derived Peptide
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Na(+)/H(+) exchange regulatory cofactor NHE-RF3
Authors:Appleton, B.A, Wiesmann, C.
Deposit date:2014-04-09
Release date:2014-09-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:A structural portrait of the PDZ domain family.
J.Mol.Biol., 426, 2014

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