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6BDS
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BU of 6bds by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000204 (Compound 11f) Complex
Descriptor: (2-nitro-4-{[(3S)-1-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]amino}phenyl)methanol, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein
Authors:Taylor, A.B.
Deposit date:2017-10-24
Release date:2018-10-03
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.
ACS Med Chem Lett, 9, 2018
6APP
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BU of 6app by Molmil
Anti-Marburgvirus Nucleoprotein Single Domain Antibody A Complexed with Nucleoprotein C-terminal domain
Descriptor: Anti-Marburgvirus Nucleoprotein Single Domain Antibody A, Nucleoprotein
Authors:Taylor, A.B, Garza, J.A.
Deposit date:2017-08-17
Release date:2017-10-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Unveiling a Drift Resistant Cryptotope withinMarburgvirusNucleoprotein Recognized by Llama Single-Domain Antibodies.
Front Immunol, 8, 2017
6B4Y
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BU of 6b4y by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex, F39Y Mutant
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Authors:Taylor, A.B.
Deposit date:2017-09-27
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
6BDQ
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BU of 6bdq by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase/CIDD-0000074 (Compound 10a) Complex
Descriptor: (2-nitro-4-{[(3S)-piperidin-3-yl]amino}phenyl)methanol, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein
Authors:Taylor, A.B.
Deposit date:2017-10-24
Release date:2018-10-03
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Design, Synthesis, and Characterization of Novel Small Molecules as Broad Range Antischistosomal Agents.
ACS Med Chem Lett, 9, 2018
6B50
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BU of 6b50 by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase/Oxamniquine Complex, T157S Mutant
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Authors:Taylor, A.B.
Deposit date:2017-09-27
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
6B54
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BU of 6b54 by Molmil
Schistosoma haematobium (Blood Fluke) Sulfotransferase/Oxamniquine Complex, S166T Mutant
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase, {(2S)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol
Authors:Taylor, A.B.
Deposit date:2017-09-27
Release date:2018-10-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
6B4Z
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BU of 6b4z by Molmil
Schistosoma mansoni (Blood Fluke) Sulfotransferase, T157S Mutant
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3'-5'-DIPHOSPHATE, Sulfotransferase oxamniquine resistance protein
Authors:Taylor, A.B.
Deposit date:2017-09-27
Release date:2018-10-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Why does oxamniquine kill Schistosoma mansoni and not S. haematobium and S. japonicum?
Int.J.Parasitol., 2020
4NIP
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BU of 4nip by Molmil
GVIGIAQ segment 147-153 from Human Superoxide Dismutase
Descriptor: GVTGIAQ segment from Superoxide dismutase [Cu-Zn]
Authors:Sievers, S.A, Sawaya, M.R, Eisenberg, D, Ivanova, M.I.
Deposit date:2013-11-06
Release date:2013-12-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NIN
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BU of 4nin by Molmil
DSVISLS segment 101-107 from Human Superoxide Dismutase
Descriptor: DSVISLS segment from Superoxide dismutase [Cu-Zn], ZINC ION
Authors:Sievers, S.A, Sawaya, M.R, Eisenberg, D.
Deposit date:2013-11-06
Release date:2013-12-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.402 Å)
Cite:Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NIO
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BU of 4nio by Molmil
GVTGIAQ segment 147-153 from Human Superoxide Dismutase with I149T mutation associated with a familial form of amyotrophic lateral sclerosis
Descriptor: GVTGIAQ segment from Superoxide dismutase [Cu-Zn]
Authors:Sievers, S.A, Sawaya, M.R, Eisenberg, D, Ivanova, M.I.
Deposit date:2013-11-06
Release date:2013-12-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Aggregation-triggering segments of SOD1 fibril formation support a common pathway for familial and sporadic ALS.
Proc.Natl.Acad.Sci.USA, 111, 2014
4WYM
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BU of 4wym by Molmil
Structural basis of HIV-1 capsid recognition by CPSF6
Descriptor: Capsid protein p24, ISOFORM 2 OF CLEAVAGE AND POLYADENYLATION SPECIFICITY FACTOR SUBUNIT 6
Authors:Battacharya, A, Taylor, A.B, Hart, P.J, Ivanov, D.N.
Deposit date:2014-11-17
Release date:2014-12-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of HIV-1 capsid recognition by PF74 and CPSF6.
Proc.Natl.Acad.Sci.USA, 111, 2014
1JS0
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BU of 1js0 by Molmil
Crystal Structure of 3D Domain-swapped RNase A Minor Trimer
Descriptor: RIBONUCLEASE A, SULFATE ION
Authors:Liu, Y, Gotte, G, Libonati, M, Eisenberg, D.
Deposit date:2001-08-15
Release date:2002-03-13
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structures of the two 3D domain-swapped RNase A trimers.
Protein Sci., 11, 2002
1CHK
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BU of 1chk by Molmil
STREPTOMYCES N174 CHITOSANASE PH5.5 298K
Descriptor: CHITOSANASE
Authors:Marcotte, E.M, Robertus, J.D.
Deposit date:1995-06-12
Release date:1996-07-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:X-ray structure of an anti-fungal chitosanase from streptomyces N174.
Nat.Struct.Biol., 3, 1996
5V8S
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BU of 5v8s by Molmil
Flavo di-iron protein H90D mutant from Thermotoga maritima
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Taylor, A.B, Becker, A, Giri, N, Hart, P.J, Kurtz Jr, D.M.
Deposit date:2017-03-22
Release date:2017-04-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Flavo Di-iron protein H90D Mutant from Thermotoga Maritima
To Be Published
5VFF
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BU of 5vff by Molmil
Synaptotagmin 1 C2B domain, lead-bound (low occupancy)
Descriptor: LEAD (II) ION, Synaptotagmin-1
Authors:Taylor, A.B, Hart, P.J, Igumenova, T.I.
Deposit date:2017-04-07
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.413 Å)
Cite:High affinity interactions of Pb2+with synaptotagmin I.
Metallomics, 10, 2018
5VFG
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BU of 5vfg by Molmil
Synaptotagmin 1 C2B domain, lead-bound (high occupancy)
Descriptor: LEAD (II) ION, Synaptotagmin-1
Authors:Taylor, A.B, Hart, P.J, Igumenova, T.I.
Deposit date:2017-04-07
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:High affinity interactions of Pb2+with synaptotagmin I.
Metallomics, 10, 2018
5VFE
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BU of 5vfe by Molmil
Synaptotagmin 1 C2A domain, lead-bound
Descriptor: LEAD (II) ION, SULFATE ION, Synaptotagmin-1
Authors:Taylor, A.B, Hart, P.J, Igumenova, T.I.
Deposit date:2017-04-07
Release date:2018-04-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:High affinity interactions of Pb2+with synaptotagmin I.
Metallomics, 10, 2018
2BTG
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BU of 2btg by Molmil
peripheral-subunit binding domains from mesophilic,thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
Descriptor: DIHYDROLIPOYLLYSINE-RESIDUE SUCCINYLTRANSFERASE COMPONENT OF 2-OXOGLUTARATE DEHYDROGENASE COMPLEX
Authors:Ferguson, N, Allen, M.D.
Deposit date:2005-05-31
Release date:2006-05-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
2BTH
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BU of 2bth by Molmil
Peripheral-subunit binding domains from mesophilic, thermophilic, and hyperthermophilic bacteria fold by ultrafast, apparently two-state transitions
Descriptor: DIHYDROLIPOYLLYSINE-RESIDUE SUCCINYLTRANSFERASE COMPONENT OF 2-OXOGLUTARATE DEHYDROGENASE COMPLEX
Authors:Ferguson, N, Allen, M.D.
Deposit date:2005-05-31
Release date:2006-05-24
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Ultra-Fast Barrier-Limited Folding in the Peripheral Subunit-Binding Domain Family.
J.Mol.Biol., 353, 2005
6BVH
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BU of 6bvh by Molmil
Trypsin complexed with a modified sunflower trypsin inhibitor, SFTI-TCTR(N12,N14)
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Riley, B.T, Chen, X.
Deposit date:2017-12-13
Release date:2018-12-19
Last modified:2019-01-30
Method:X-RAY DIFFRACTION (1.927 Å)
Cite:Potent, multi-target serine protease inhibition achieved by a simplified beta-sheet motif.
PLoS ONE, 14, 2019

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