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1XUJ
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BU of 1xuj by Molmil
TRYPSIN-KETO-BABIM-ZN+2, PH 8.2
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC, CALCIUM ION, SULFATE ION, ...
Authors:Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
Deposit date:1997-10-10
Release date:1998-11-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
6FLC
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BU of 6flc by Molmil
2C8 Fab bound to EDIII of DenV 2
Descriptor: Domain III of Dengue virus 2, GLYCEROL, Heavy chain of 2C8 Fab, ...
Authors:Flanagan, A, Renner, M, Grimes, J.M.
Deposit date:2018-01-25
Release date:2018-10-24
Last modified:2018-10-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Characterization of a potent and highly unusual minimally enhancing antibody directed against dengue virus.
Nat. Immunol., 19, 2018
1XL6
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BU of 1xl6 by Molmil
Intermediate gating structure 2 of the inwardly rectifying K+ channel KirBac3.1
Descriptor: Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION, ...
Authors:Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M.
Deposit date:2004-09-30
Release date:2004-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Two intermediate gating state crystal structures of the KirBac3.1 K+ channel
To be Published
3B2N
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BU of 3b2n by Molmil
Crystal structure of DNA-binding response regulator, LuxR family, from Staphylococcus aureus
Descriptor: SODIUM ION, Uncharacterized protein Q99UF4
Authors:Malashkevich, V.N, Toro, R, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-10-18
Release date:2007-10-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal structure of DNA-binding response regulator, LuxR family, from Staphylococcus aureus.
To be Published
1XPO
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BU of 1xpo by Molmil
Structural mechanism of inhibition of the Rho transcription termination factor by the antibiotic bicyclomycin
Descriptor: 5'-R(*CP*UP*CP*UP*CP*UP*CP*U)-3', BICYCLOMYCIN, MAGNESIUM ION, ...
Authors:Skordalakes, E, Brogan, A.P, Park, B.S, Kohn, H, Berger, J.M.
Deposit date:2004-10-09
Release date:2005-02-08
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Structural mechanism of inhibition of the rho transcription termination factor by the antibiotic bicyclomycin
Structure, 13, 2005
6FLA
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BU of 6fla by Molmil
3H5 Fab bound to EDIII of DenV 2 Xtal form 1
Descriptor: CHLORIDE ION, Domain III of Dengue virus 2, GLYCEROL, ...
Authors:Flanagan, A, Renner, M, Grimes, J.M.
Deposit date:2018-01-25
Release date:2018-10-24
Last modified:2019-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Characterization of a potent and highly unusual minimally enhancing antibody directed against dengue virus.
Nat. Immunol., 19, 2018
4F08
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BU of 4f08 by Molmil
Discovery and Optimization of C-2 Methyl Imidazo-pyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2
Descriptor: 1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK2
Authors:Murray, J.M.
Deposit date:2012-05-03
Release date:2012-07-04
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Discovery and Optimization of C-2 Methyl Imidazopyrrolopyridines as Potent and Orally Bioavailable JAK1 Inhibitors with Selectivity over JAK2.
J.Med.Chem., 55, 2012
3BG2
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BU of 3bg2 by Molmil
Crystal structure of deoxyguanosinetriphosphate triphosphohydrolase from Flavobacterium sp. MED217
Descriptor: DGTP triphosphohydrolase
Authors:Fedorov, A.A, Fedorov, E.V, Toro, R, Meyer, A.J, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-11-25
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure of the deoxyguanosinetriphosphate triphosphohydrolase from Flavobacterium sp. MED217.
To be Published
3BGF
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BU of 3bgf by Molmil
X-ray crystal structure of the SARS coronavirus spike receptor binding domain in complex with F26G19 Fab
Descriptor: F26G19 Fab, Spike protein S1
Authors:Pak, J.E, Rini, J.M.
Deposit date:2007-11-26
Release date:2008-12-02
Last modified:2021-03-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into immune recognition of the severe acute respiratory syndrome coronavirus S protein receptor binding domain.
J.Mol.Biol., 388, 2009
4BZW
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BU of 4bzw by Molmil
Complete crystal structure of the carboxylesterase Cest-2923 (lp_2923) from Lactobacillus plantarum WCFS1
Descriptor: ACETATE ION, LIPASE/ESTERASE, SULFATE ION, ...
Authors:Benavente, R, Esteban-Torres, M, Acebron, I, delasRivas, B, Munoz, R, Alvarez, Y, Mancheno, J.M.
Deposit date:2013-07-30
Release date:2013-10-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.148 Å)
Cite:Structure, Biochemical Characterization and Analysis of the Pleomorphism of Carboxylesterase Cest-2923 from Lactobacillus Plantarum Wcfs1
FEBS J., 280, 2013
3B1V
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BU of 3b1v by Molmil
Crystal structure of an S. thermophilus NFeoB E67A mutant bound to mGMPPNP
Descriptor: 3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate, CHLORIDE ION, Ferrous iron uptake transporter protein B, ...
Authors:Ash, M.R, Maher, M.J, Guss, J.M, Jormakka, M.
Deposit date:2011-07-15
Release date:2011-11-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A suite of Switch I and Switch II mutant structures from the G-protein domain of FeoB
Acta Crystallogr.,Sect.D, 67, 2011
4BQU
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BU of 4bqu by Molmil
Japanin from Rhipicephalus appendiculatus bound to cholesterol: Orthorhombic crystal form
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Roversi, P, Johnson, S, Preston, S, Austyn, J.M, Nuttall, P, Lea, S.M.
Deposit date:2013-06-02
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural basis of cholesterol binding by a novel clade of dendritic cell modulators from ticks.
Sci Rep, 7, 2017
3B4T
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BU of 3b4t by Molmil
Crystal structure of Mycobacterium tuberculosis RNase PH, the Mycobacterium tuberculosis Structural Genomics Consortium target Rv1340
Descriptor: PHOSPHATE ION, Ribonuclease PH
Authors:Antczak, A.J, Berger, J.M, Lekin, T, Segelke, B.W, Mycobacterium Tuberculosis Structural Proteomics Project (XMTB), TB Structural Genomics Consortium (TBSGC)
Deposit date:2007-10-24
Release date:2007-11-20
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:2.1 A Crystal structure of RNase PH from Mycobacterium tuberculosis.
To be Published
3BJS
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BU of 3bjs by Molmil
Crystal structure of a member of enolase superfamily from Polaromonas sp. JS666
Descriptor: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
Authors:Patskovsky, Y, Bonanno, J.B, Ozyurt, S, Dickey, M, Sauder, J.M, Reyes, C, Groshong, C, Gheyi, T, Smith, D, Wasserman, S.R, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-12-04
Release date:2007-12-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal Structure of a Member of Enolase Superfamily from Polaromonas sp. JS666.
To be Published
3B8Z
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BU of 3b8z by Molmil
High Resolution Crystal Structure of the Catalytic Domain of ADAMTS-5 (Aggrecanase-2)
Descriptor: CALCIUM ION, N-hydroxy-4-({4-[4-(trifluoromethyl)phenoxy]phenyl}sulfonyl)tetrahydro-2H-pyran-4-carboxamide, ZINC ION, ...
Authors:Shieh, H.-S, Williams, J.M, Mathis, K.J, Tortorella, M.D, Tomasselli, A.
Deposit date:2007-11-02
Release date:2007-12-11
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High resolution crystal structure of the catalytic domain of ADAMTS-5 (aggrecanase-2).
J.Biol.Chem., 283, 2008
3B1Z
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BU of 3b1z by Molmil
Crystal structure of an S. thermophilus NFeoB T35S mutant without nucleotide
Descriptor: Ferrous iron uptake transporter protein B, SULFATE ION
Authors:Ash, M.R, Maher, M.J, Guss, J.M, Jormakka, M.
Deposit date:2011-07-15
Release date:2011-11-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:A suite of Switch I and Switch II mutant structures from the G-protein domain of FeoB
Acta Crystallogr.,Sect.D, 67, 2011
1XYR
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BU of 1xyr by Molmil
Poliovirus 135S cell entry intermediate
Descriptor: Genome polyprotein, Coat protein VP1, Coat protein VP2, ...
Authors:Bubeck, D, Filman, D.J, Cheng, N, Steven, A.C, Hogle, J.M, Belnap, D.M.
Deposit date:2004-11-10
Release date:2005-08-02
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (11 Å)
Cite:The structure of the poliovirus 135S cell entry intermediate at 10-angstrom resolution reveals the location of an externalized polypeptide that binds to membranes.
J.Virol., 79, 2005
1XUK
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BU of 1xuk by Molmil
TRYPSIN-BABIM-SULFATE, PH 5.9
Descriptor: BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANE, CALCIUM ION, SULFATE ION, ...
Authors:Katz, B.A, Clark, J.M, Finer-Moore, J.S, Jenkins, T.E, Johnson, C.R, Rose, M.J, Luong, C, Moore, W.R, Stroud, R.M.
Deposit date:1997-10-10
Release date:1998-11-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Design of potent selective zinc-mediated serine protease inhibitors.
Nature, 391, 1998
1XZ4
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BU of 1xz4 by Molmil
Intersubunit Interactions Associated with Tyr42alpha Stabilize the Quaternary-T Tetramer but are not Major Quaternary Constraints in Deoxyhemoglobin: alphaY42A deoxyhemoglobin no-salt
Descriptor: Hemoglobin alpha chain, Hemoglobin beta chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Rogers, P.H, Arnone, A, Hui, H.L, Wierzba, A, DeYoung, A, Kwiatkowski, L.D, Noble, R.W, Juszczak, L.J, Peterson, E.S, Friedman, J.M.
Deposit date:2004-11-11
Release date:2004-11-30
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Intersubunit interactions associated with tyr42alpha stabilize the quaternary-T tetramer but are not major quaternary constraints in deoxyhemoglobin
Biochemistry, 44, 2005
6FVV
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BU of 6fvv by Molmil
26S proteasome, s3 state
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ...
Authors:Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E.
Deposit date:2018-03-05
Release date:2018-08-22
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (5.4 Å)
Cite:Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating.
Cell Rep, 24, 2018
1YY0
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BU of 1yy0 by Molmil
Crystal structure of an RNA duplex containing a 2'-amine substitution and a 2'-amide product produced by in-crystal acylation at a C-A mismatch
Descriptor: 5'-R(*GP*CP*AP*GP*AP*(A5M)P*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3', 5'-R(*GP*CP*AP*GP*AP*(M5M)P*UP*UP*AP*AP*AP*UP*CP*UP*GP*C)-3', CALCIUM ION
Authors:Gherghe, C.M, Krahn, J.M, Weeks, K.M.
Deposit date:2005-02-23
Release date:2005-10-18
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures, reactivity and inferred acylation transition States for 2'-amine substituted RNA.
J.Am.Chem.Soc., 127, 2005
1Z7Y
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BU of 1z7y by Molmil
Crystal Structure of the Arabidopsis thaliana O-Acetylserine Sulfhydrylase K46A mutant
Descriptor: Cysteine synthase, N-[(3-HYDROXY-2-METHYL-5-{[(TRIHYDROXYPHOSPHORANYL)OXY]METHYL}PYRIDIN-4-YL)METHYLENE]METHIONINE
Authors:Bonner, E.R, Cahoon, R.E, Knapke, S.M, Jez, J.M.
Deposit date:2005-03-28
Release date:2005-09-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Molecular Basis of Cysteine Biosynthesis in Plants: STRUCTURAL AND FUNCTIONAL ANALYSIS OF O-ACETYLSERINE SULFHYDRYLASE FROM ARABIDOPSIS THALIANA.
J.Biol.Chem., 280, 2005
4C9W
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BU of 4c9w by Molmil
Crystal structure of NUDT1 (MTH1) with R-crizotinib
Descriptor: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine, 7,8-DIHYDRO-8-OXOGUANINE TRIPHOSPHATASE, CHLORIDE ION, ...
Authors:Elkins, J.M, Salah, E, Huber, K, Superti-Furga, G, Abdul Azeez, K.R, Raynor, J, Krojer, T, von Delft, F, Bountra, C, Edwards, A, Knapp, S.
Deposit date:2013-10-03
Release date:2014-04-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Stereospecific Targeting of Mth1 by (S)-Crizotinib as an Anticancer Strategy.
Nature, 508, 2014
6FVU
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BU of 6fvu by Molmil
26S proteasome, s2 state
Descriptor: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit 4 homolog, 26S proteasome regulatory subunit 6A, ...
Authors:Eisele, M.R, Reed, R.G, Rudack, T, Schweitzer, A, Beck, F, Nagy, I, Pfeifer, G, Plitzko, J.M, Baumeister, W, Tomko, R.J, Sakata, E.
Deposit date:2018-03-05
Release date:2018-08-22
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Expanded Coverage of the 26S Proteasome Conformational Landscape Reveals Mechanisms of Peptidase Gating.
Cell Rep, 24, 2018
1ZG2
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BU of 1zg2 by Molmil
Solution NMR structure of the UPF0213 protein BH0048 from Bacillus halodurans. Northeast Structural Genomics target BhR2.
Descriptor: Hypothetical UPF0213 protein BH0048
Authors:Aramini, J.M, Swapna, G.V.T, Xiao, R, Ma, L, Shastry, R, Ciano, M, Acton, T.B, Liu, J, Rost, B, Cort, J.R, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2005-04-20
Release date:2005-06-21
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Solution NMR structure of the UPF0213 protein BH0048 from Bacillus halodurans. Northeast Structural Genomics target BhR2.
To be Published

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