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4MSE
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BU of 4mse by Molmil
Crystal structure of PDE10A2 with fragment ZT1597 (2-({[(2S)-2-methyl-2,3-dihydro-1,3-benzothiazol-5-yl]oxy}methyl)quinoline)
Descriptor: 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-09-18
Release date:2014-05-14
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MRZ
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BU of 4mrz by Molmil
Crystal structure of PDE10A2 with fragment ZT0429 (4-methyl-3-nitropyridin-2-amine)
Descriptor: 4-methyl-3-nitropyridin-2-amine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-09-17
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MSA
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BU of 4msa by Molmil
Crystal structure of PDE10A2 with fragment ZT0449 (5-nitro-1H-benzimidazole)
Descriptor: 5-nitro-1H-benzimidazole, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-09-18
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4MS0
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BU of 4ms0 by Molmil
Crystal structure of PDE10A2 with fragment ZT0443 (6-chloropyrimidine-2,4-diamine)
Descriptor: 6-chloropyrimidine-2,4-diamine, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-09-18
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
4NI0
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BU of 4ni0 by Molmil
Quaternary R3 CO-liganded hemoglobin structure in complex with a thiol containing compound
Descriptor: 5-[(2S)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W.
Deposit date:2013-11-05
Release date:2014-08-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
4NI1
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BU of 4ni1 by Molmil
Quaternary R CO-liganded hemoglobin structure in complex with a thiol containing compound
Descriptor: 5-[(2R)-2,3-dihydro-1,4-benzodioxin-2-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, CARBON MONOXIDE, Hemoglobin subunit alpha, ...
Authors:Safo, M.K, Meadows, J, Ko, T.-P, Nakagawa, A, Zapol, W.
Deposit date:2013-11-05
Release date:2014-09-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of a Small Molecule that Increases Hemoglobin Oxygen Affinity and Reduces SS Erythrocyte Sickling.
Acs Chem.Biol., 9, 2014
4MSN
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BU of 4msn by Molmil
Crystal structure of PDE10A2 with fragment ZT0451 (8-nitroquinoline)
Descriptor: 8-nitroquinoline, NICKEL (II) ION, cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Authors:Sridhar, V, Badger, J, Logan, C, Chie-Leon, B, Nienaber, V.
Deposit date:2013-09-18
Release date:2014-05-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification and optimization of PDE10A inhibitors using fragment-based screening by nanocalorimetry and X-ray crystallography.
J Biomol Screen, 19, 2014
1VKX
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BU of 1vkx by Molmil
CRYSTAL STRUCTURE OF THE NFKB P50/P65 HETERODIMER COMPLEXED TO THE IMMUNOGLOBULIN KB DNA
Descriptor: DNA (5'-D(*AP*GP*GP*AP*AP*AP*GP*TP*CP*CP*CP*C)-3'), DNA (5'-D(*TP*GP*GP*GP*GP*AP*CP*TP*TP*TP*CP*C)-3'), PROTEIN (NF-KAPPA B P50 SUBUNIT), ...
Authors:Chen, F, Huang, D.B, Ghosh, G.
Deposit date:1997-09-17
Release date:1998-12-09
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of p50/p65 heterodimer of transcription factor NF-kappaB bound to DNA.
Nature, 391, 1998
1ANV
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BU of 1anv by Molmil
ADENOVIRUS 5 DBP/URANYL FLUORIDE SOAK
Descriptor: ADENOVIRUS SINGLE-STRANDED DNA-BINDING PROTEIN, URANYL (VI) ION, ZINC ION
Authors:Kanellopoulos, P.N, Tsernoglou, D, Van Der Vliet, P.C, Tucker, P.A.
Deposit date:1996-03-14
Release date:1997-02-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Conformational change of the adenovirus DNA-binding protein induced by soaking crystals with K3UO2F5 solutions.
Acta Crystallogr.,Sect.D, 52, 1996
1ADU
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BU of 1adu by Molmil
EARLY E2A DNA-BINDING PROTEIN
Descriptor: ADENOVIRUS SINGLE-STRANDED DNA-BINDING PROTEIN, ZINC ION
Authors:Tucker, P.A, Kanellopoulos, P.N, Tsernoglou, D, Van Der Vliet, P.C.
Deposit date:1995-05-11
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3 Å)
Cite:Alternative arrangements of the protein chain are possible for the adenovirus single-stranded DNA binding protein.
J.Mol.Biol., 257, 1996
1ADV
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BU of 1adv by Molmil
EARLY E2A DNA-BINDING PROTEIN
Descriptor: ADENOVIRUS SINGLE-STRANDED DNA-BINDING PROTEIN, ZINC ION
Authors:Kanellopoulos, P.N, Tsernoglou, D, Van Der Vliet, P.C, Tucker, P.A.
Deposit date:1995-05-12
Release date:1996-06-20
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Alternative arrangements of the protein chain are possible for the adenovirus single-stranded DNA binding protein.
J.Mol.Biol., 257, 1996
1NST
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BU of 1nst by Molmil
THE SULFOTRANSFERASE DOMAIN OF HUMAN HAPARIN SULFATE N-DEACETYLASE/N-SULFOTRANSFERASE
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, HEPARAN SULFATE N-DEACETYLASE/N-SULFOTRANSFERASE
Authors:Kakuta, Y, Pedersen, L.C, Negishi, M.
Deposit date:1998-09-07
Release date:1999-09-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the sulfotransferase domain of human heparan sulfate N-deacetylase/ N-sulfotransferase 1.
J.Biol.Chem., 274, 1999
1EIT
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BU of 1eit by Molmil
NMR STUDY OF MU-AGATOXIN
Descriptor: MU-AGATOXIN-I
Authors:Omecinsky, D.O, Reily, M.D.
Deposit date:1995-12-14
Release date:1996-04-03
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:Three-dimensional structure analysis of mu-agatoxins: further evidence for common motifs among neurotoxins with diverse ion channel specificities.
Biochemistry, 35, 1996
4LVW
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BU of 4lvw by Molmil
Structure of the THF riboswitch bound to 7-deazaguanine
Descriptor: 7-DEAZAGUANINE, THF riboswitch
Authors:Trausch, J.J, Batey, R.T.
Deposit date:2013-07-26
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.768 Å)
Cite:A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
3U0S
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BU of 3u0s by Molmil
Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Diisopropyl-fluorophosphatase, GLYCEROL, ...
Authors:Bale, J.B, Shen, B.W, Stoddard, B.L.
Deposit date:2011-09-29
Release date:2012-02-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Increased Diels-Alderase activity through backbone remodeling guided by Foldit players.
Nat.Biotechnol., 30, 2012
1RYQ
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BU of 1ryq by Molmil
Putative DNA-directed RNA polymerase, subunit e'' from Pyrococcus Furiosus Pfu-263306-001
Descriptor: DNA-directed RNA polymerase, subunit e'', ZINC ION
Authors:Liu, Z.-J, Chen, L, Tempel, W, Shah, A, Arendall III, W.B, Rose, J.P, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Lee, H.S, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2003-12-22
Release date:2004-08-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Parameter-space screening: a powerful tool for high-throughput crystal structure determination.
Acta Crystallogr.,Sect.D, 61, 2005
4WRN
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BU of 4wrn by Molmil
Crystal structure of the polymerization region of human uromodulin/Tamm-Horsfall protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltose-binding periplasmic protein,Uromodulin, ZINC ION, ...
Authors:Bokhove, M, De Sanctis, D, Jovine, L.
Deposit date:2014-10-24
Release date:2016-01-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:A structured interdomain linker directs self-polymerization of human uromodulin.
Proc.Natl.Acad.Sci.USA, 113, 2016
1JES
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BU of 1jes by Molmil
Crystal Structure of a Copper-Mediated Base Pair in DNA
Descriptor: 5'-D(*CP*GP*CP*GP*(DPY)P*AP*TP*(DRP)P*CP*GP*CP*G)-3', COPPER (II) ION
Authors:Atwell, S, Meggers, E, Spraggon, G, Schultz, P.G.
Deposit date:2001-06-18
Release date:2001-11-23
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of a Copper-Mediated Base Pair in DNA
J.Am.Chem.Soc., 123, 2001
4LVX
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BU of 4lvx by Molmil
Structure of the THF riboswitch bound to tetrahydrobiopterin
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, THF riboswitch
Authors:Trausch, J.J, Batey, R.T.
Deposit date:2013-07-26
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4LVZ
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BU of 4lvz by Molmil
Structure of the THF riboswitch bound to 2,6-diaminopurine
Descriptor: 9H-PURINE-2,6-DIAMINE, THF riboswitch
Authors:Trausch, J.J, Batey, R.T.
Deposit date:2013-07-26
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4LVY
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BU of 4lvy by Molmil
Structure of the THF riboswitch bound to pemetrexed
Descriptor: 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THF riboswitch
Authors:Trausch, J.J, Batey, R.T.
Deposit date:2013-07-26
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4LVV
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BU of 4lvv by Molmil
Structure of the THF riboswitch
Descriptor: N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, THF riboswitch
Authors:Trausch, J.J, Batey, R.T.
Deposit date:2013-07-26
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
4LW0
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BU of 4lw0 by Molmil
Structure of the THF riboswitch bound to adenine
Descriptor: ADENINE, THF riboswitch
Authors:Trausch, J.J, Batey, R.T.
Deposit date:2013-07-26
Release date:2014-03-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.889 Å)
Cite:A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
1VK1
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BU of 1vk1 by Molmil
Conserved hypothetical protein from Pyrococcus furiosus Pfu-392566-001
Descriptor: Conserved hypothetical protein, DI(HYDROXYETHYL)ETHER, PHOSPHATE ION, ...
Authors:Shah, A, Liu, Z.J, Tempel, W, Chen, L, Lee, D, Yang, H, Chang, J, Zhao, M, Ng, J, Rose, J, Brereton, P.S, Izumi, M, Jenney Jr, F.E, Poole II, F.L, Shah, C, Sugar, F.J, Adams, M.W.W, Richardson, D.C, Richardson, J.S, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2004-04-13
Release date:2004-08-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:(NZ)CH...O contacts assist crystallization of a ParB-like nuclease.
Bmc Struct.Biol., 7, 2007
8U81
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BU of 8u81 by Molmil
KCTD5/Cullin3/Gbeta1gamma2 Complex: State A From Composite RELION Multi-body Refinement Map
Descriptor: BTB/POZ domain-containing protein KCTD5, Cullin-3, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Kuntz, D.A, Nguyen, D.M, Narayanan, N, Prive, G.G.
Deposit date:2023-09-15
Release date:2023-10-11
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Structure and dynamics of a pentameric KCTD5/CUL3/G beta gamma E3 ubiquitin ligase complex.
Proc.Natl.Acad.Sci.USA, 121, 2024

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