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7TMZ
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BU of 7tmz by Molmil
Integrin alpha IIB beta3 complex with BMS compound 4
Descriptor: (4-{[(5S)-3-{4-[(E)-imino(4-methylpiperazin-1-yl)methyl]phenyl}-4,5-dihydro-1,2-oxazol-5-yl]methyl}piperazin-1-yl)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, J, Lin, F.-Y, Zhu, J, Springer, T.A.
Deposit date:2022-01-20
Release date:2022-08-17
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.20002 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
7U60
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BU of 7u60 by Molmil
Integrin alpha IIB beta3 complex with cRGDfV
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ARG-GLY-ASP-DPN-VAL, ...
Authors:Zhu, J, Lin, F.Y, Zhu, J, Springer, T.A.
Deposit date:2022-03-03
Release date:2022-08-17
Last modified:2024-10-02
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:A general chemical principle for creating closure-stabilizing integrin inhibitors.
Cell, 185, 2022
2E8W
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BU of 2e8w by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and IPP
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E90
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BU of 2e90 by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium, pyrophosphate and FPP
Descriptor: FARNESYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, ...
Authors:Guo, R.T, Ko, T.P, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
6IR2
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BU of 6ir2 by Molmil
Crystal structure of red fluorescent protein mCherry complexed with the nanobody LaM2 at 1.4 Angstron resolution
Descriptor: MCherry fluorescent protein, mCherry's nanobody LaM2
Authors:Ding, Y, Wang, Z.Y, Hu, R.T, Chen, X.
Deposit date:2018-11-09
Release date:2019-11-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.393 Å)
Cite:Structural insights into the binding of nanobodies LaM2 and LaM4 to the red fluorescent protein mCherry.
Protein Sci., 30, 2021
6ITQ
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BU of 6itq by Molmil
Crystal structure of cortisol complexed with its nanobody at pH 10.5
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, SULFATE ION, anti-cortisol camelid antibody
Authors:Ding, Y, Ding, L.L, Wang, Z.Y, Zhong, P.Y.
Deposit date:2018-11-24
Release date:2019-07-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.526 Å)
Cite:Structural insights into the mechanism of single domain VHH antibody binding to cortisol.
Febs Lett., 593, 2019
6XE7
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BU of 6xe7 by Molmil
Carbonmonoxy hemoglobin in complex with the antisickling agent methyl 2-((2-formyl-3-hydroxyphenoxy)methyl)nicotinate
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Pagare, P.P, Safo, M.K, Musayev, F.N.
Deposit date:2020-06-12
Release date:2020-12-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploration of Structure-Activity Relationship of Aromatic Aldehydes Bearing Pyridinylmethoxy-Methyl Esters as Novel Antisickling Agents.
J.Med.Chem., 63, 2020
2E94
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BU of 2e94 by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-364
Descriptor: 3-BIPHENYL-3-YL-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Ko, T.P, Cao, R, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E9A
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BU of 2e9a by Molmil
E. coli undecaprenyl pyrophosphate synthase in complex with BPH-628
Descriptor: (1-HYDROXY-1-PHOSPHONO-2-[1,1';4',1'']TERPHENYL-3-YL-ETHYL)-PHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase
Authors:Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E95
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BU of 2e95 by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-675
Descriptor: 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Cao, R, Ko, T.P, Jeng, W.Y, Chang, T.H, Chen, C.K.-M, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
7R8W
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BU of 7r8w by Molmil
Crystal Structure of the LNK SH2 Domain in Complex with a JAK2 pY813 Phosphopeptide
Descriptor: JAK2 pY813 phosphopeptide, SH2B adapter protein 3
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2021-06-27
Release date:2021-10-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and functional analysis of target recognition by the lymphocyte adaptor protein LNK.
Nat Commun, 12, 2021
7R8X
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BU of 7r8x by Molmil
Crystal Structure of the LNK SH2 Domain in Complex with an EPOR pY454 Phosphopeptide
Descriptor: EPOR pY454 phosphopeptide, SH2B adapter protein 3
Authors:Morris, R, Kershaw, N.J, Babon, J.J.
Deposit date:2021-06-27
Release date:2021-10-06
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional analysis of target recognition by the lymphocyte adaptor protein LNK.
Nat Commun, 12, 2021
2E9D
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BU of 2e9d by Molmil
E. coli undecaprenyl pyrophosphate synthase in complex with BPH-676
Descriptor: Undecaprenyl pyrophosphate synthetase, [1-HYDROXY-2-(1,1':3',1''-TERPHENYL-3-YLOXY)ETHANE-1,1-DIYL]BIS(PHOSPHONIC ACID)
Authors:Guo, R.T, Cao, R, Ko, T.P, Liang, P.H, Oldfield, E, Wang, A.H.J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E9C
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BU of 2e9c by Molmil
E. coli undecaprenyl pyrophosphate synthase in complex with BPH-675
Descriptor: 1-HYDROXY-2-[3'-(NAPHTHALENE-2-SULFONYLAMINO)-BIPHENYL-3-YL]ETHYLIDENE-1,1-BISPHOSPHONIC ACID, Undecaprenyl pyrophosphate synthetase
Authors:Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
7MLB
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BU of 7mlb by Molmil
Crystal structure of Thermus thermophilus transcription initiation complex with 5nt RNA
Descriptor: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*AP*GP*GP*GP*AP*TP*GP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*CP*AP*TP*CP*CP*CP*TP*GP*AP*GP*TP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Liu, Y, Ebright, R.H.
Deposit date:2021-04-28
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural and mechanistic basis of reiterative transcription initiation.
Proc.Natl.Acad.Sci.USA, 119, 2022
7MLI
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BU of 7mli by Molmil
Crystal structure of Thermus thermophilus reiterative transcription complex with 5nt oligo-C RNA
Descriptor: DNA (5'-D(*TP*AP*TP*AP*AP*TP*GP*GP*GP*AP*GP*CP*TP*GP*CP*TP*AP*CP*GP*GP*AP*TP*G)-3'), DNA (5'-D(P*CP*AP*TP*CP*CP*GP*TP*AP*GP*GP*GP*CP*GP*GP*G)-3'), DNA-directed RNA polymerase subunit alpha, ...
Authors:Liu, Y, Ebright, R.H.
Deposit date:2021-04-28
Release date:2022-02-02
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural and mechanistic basis of reiterative transcription initiation.
Proc.Natl.Acad.Sci.USA, 119, 2022
6WJ0
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BU of 6wj0 by Molmil
Crystal structure of Fab 54-4H03
Descriptor: Fab 54-4H03 heavy chain, Fab 54-4H03 light chain, GLYCEROL
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2020-04-11
Release date:2020-07-01
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.802 Å)
Cite:Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
7UFV
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BU of 7ufv by Molmil
Crystal structure of the WDR domain of human DCAF1 in complex with OICR-6766
Descriptor: (3P)-N-[(1S)-3-amino-1-(3-chlorophenyl)-3-oxopropyl]-3-(2-fluorophenyl)-1H-pyrazole-4-carboxamide, DDB1- and CUL4-associated factor 1, UNKNOWN ATOM OR ION
Authors:Kimani, S, Li, A, Li, Y, Dong, A, Hutchinson, A, Seitova, A, Wilson, B, Al-Awar, R, Vedadi, M, Brown, P, Arrowsmith, C.H, Edwards, A.M, Halabelian, L, Structural Genomics Consortium (SGC)
Deposit date:2022-03-23
Release date:2022-05-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Nanomolar DCAF1 Small Molecule Ligands.
J.Med.Chem., 66, 2023
2E8V
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BU of 2e8v by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with product GGPP (P21)
Descriptor: GERANYLGERANYL DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase
Authors:Chen, C.K.-M, Guo, R.T, Ko, T.P, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-23
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E92
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BU of 2e92 by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-261
Descriptor: (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID), Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Ko, T.P, Cao, R, Jeng, W.Y, Chen, C.K.-M, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
6WJ1
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BU of 6wj1 by Molmil
Crystal structure of Fab 54-4H03 bound to H1 influenza hemagglutinin
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 54-4H03 heavy chain, ...
Authors:Wu, N.C, Wilson, I.A.
Deposit date:2020-04-11
Release date:2020-07-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:Convergent Evolution in Breadth of Two VH6-1-Encoded Influenza Antibody Clonotypes from a Single Donor.
Cell Host Microbe, 28, 2020
2E98
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BU of 2e98 by Molmil
E. coli undecaprenyl pyrophosphate synthase in complex with BPH-629
Descriptor: Undecaprenyl pyrophosphate synthetase, [2-(3-DIBENZOFURAN-4-YL-PHENYL)-1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID
Authors:Guo, R.T, Ko, T.P, Cao, R, Liang, P.H, Oldfield, E, Wang, A.H.J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E8U
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BU of 2e8u by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and IPP (P21)
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION
Authors:Guo, R.T, Chen, C.K.-M, Ko, T.P, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-23
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
2E91
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BU of 2e91 by Molmil
S. cerevisiae geranylgeranyl pyrophosphate synthase in complex with magnesium and BPH-91
Descriptor: Geranylgeranyl pyrophosphate synthetase, MAGNESIUM ION, ZOLEDRONIC ACID
Authors:Guo, R.T, Ko, T.P, Cao, R, Chen, C.K.-M, Jeng, W.Y, Chang, T.H, Liang, P.H, Oldfield, E, Wang, A.H.-J.
Deposit date:2007-01-24
Release date:2007-06-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Bisphosphonates target multiple sites in both cis- and trans-prenyltransferases
Proc.Natl.Acad.Sci.Usa, 104, 2007
8KAE
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BU of 8kae by Molmil
16d-bound human SPNS2
Descriptor: 3-[3-(4-decylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-amine, NbFab chain L, NbFab-H chain, ...
Authors:He, Y, Duan, Y.
Deposit date:2023-08-03
Release date:2024-01-03
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structural basis of Sphingosine-1-phosphate transport via human SPNS2.
Cell Res., 34, 2024

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