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2L8S
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BU of 2l8s by Molmil
Solution NMR Structure of Transmembrane and Cytosolic Regions of Integrin Alpha1 in Detergent Micelles
Descriptor: Integrin alpha-1
Authors:Lai, C, Liu, X, Tian, C.
Deposit date:2011-01-24
Release date:2012-02-01
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Integrin Alpha1 Has a Long Helix, Extending from the Transmembrane Region to the Cytoplasmic Tail in Detergent Micelles
Plos One, 8, 2013
2M0Q
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BU of 2m0q by Molmil
Solution NMR analysis of intact KCNE2 in detergent micelles demonstrate a straight transmembrane helix
Descriptor: Potassium voltage-gated channel subfamily E member 2
Authors:Lai, C, Li, P, Chen, L, Zhang, L, Wu, F, Tian, C.
Deposit date:2012-11-01
Release date:2014-04-30
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Differential modulations of KCNQ1 by auxiliary proteins KCNE1 and KCNE2.
Sci Rep, 4, 2014
1WBY
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BU of 1wby by Molmil
CRYSTAL STRUCTURES OF MURINE MHC CLASS I H-2 Db AND Kb MOLECULES IN COMPLEX WITH CTL EPITOPES FROM INFLUENZA A VIRUS: IMPLICATIONS FOR TCR REPERTOIRE SELECTION AND IMMUNODOMINANCE
Descriptor: BETA-2MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B ALPHA CHAIN, ...
Authors:Meijers, R, Lai, C, Yang, Y, Liu, J, Zhong, W, Wang, J, Reinherz, E.L.
Deposit date:2004-11-05
Release date:2005-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structures of Murine Mhc Class I H-2 D(B) and K(B) Molecules in Complex with Ctl Epitopes from Influenza a Virus: Implications for Tcr Repertoire Selection and Immunodominance
J.Mol.Biol., 345, 2005
1WBZ
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BU of 1wbz by Molmil
CRYSTAL STRUCTURES OF MURINE MHC CLASS I H-2 Db AND Kb MOLECULES IN COMPLEX WITH CTL EPITOPES FROM INFLUENZA A VIRUS: IMPLICATIONS FOR TCR REPERTOIRE SELECTION AND IMMUNODOMINANCE
Descriptor: BETA-2MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, K-B ALPHA CHAIN PRECURSOR, ...
Authors:Meijers, R, Lai, C, Yang, Y, Liu, J, Zhong, W, Wang, J, Reinherz, E.L.
Deposit date:2004-11-05
Release date:2005-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Murine Mhc Class I H-2 D(B) and K(B) Molecules in Complex with Ctl Epitopes from Influenza a Virus: Implications for Tcr Repertoire Selection and Immunodominance
J.Mol.Biol., 345, 2005
1WBX
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BU of 1wbx by Molmil
CRYSTAL STRUCTURES OF MURINE MHC CLASS I H-2 Db AND Kb MOLECULES IN COMPLEX WITH CTL EPITOPES FROM INFLUENZA A VIRUS: IMPLICATIONS FOR TCR REPERTOIRE SELECTION AND IMMUNODOMINANCE
Descriptor: BETA-2MICROGLOBULIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B ALPHA CHAIN, ...
Authors:Meijers, R, Lai, C, Yang, Y, Liu, J, Zhong, W, Wang, J, Reinherz, E.L.
Deposit date:2004-11-05
Release date:2005-01-19
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structures of Murine Mhc Class I H-2 D(B) and K(B) Molecules in Complex with Ctl Epitopes from Influenza a Virus: Implications for Tcr Repertoire Selection and Immunodominance
J.Mol.Biol., 345, 2005
2I3Z
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BU of 2i3z by Molmil
rat DPP-IV with xanthine mimetic inhibitor #7
Descriptor: 2-[(3S)-3-AMINOPIPERIDIN-1-YL]-1-(2-CYANOBENZYL)-5-METHYL-4,6-DIOXO-3,4,5,6-TETRAHYDROPYRROLO[3,4-D]IMIDAZOL-1-IUM, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV)
Authors:Kurukulasuriya, R, Rohde, J.J, Szczepankiewicz, B.G, Basha, F, Lai, C, Winn, M, Stewart, K.D, Longenecker, K.L, Lubben, T.W, Ballaron, S.J, Sham, H.L, VonGeldern, T.W.
Deposit date:2006-08-21
Release date:2006-12-12
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Xanthine mimetics as potent dipeptidyl peptidase IV inhibitors.
Bioorg.Med.Chem.Lett., 16, 2006
2LQ9
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BU of 2lq9 by Molmil
Solution structure of the K60A mutant of Atox1
Descriptor: Copper transport protein ATOX1
Authors:Xi, Z, Shi, C, Lai, C, Tian, C, Liu, Y.
Deposit date:2012-02-28
Release date:2013-03-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Solution structure of the K60A mutant of Atox1
To be Published
2OAG
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BU of 2oag by Molmil
Crystal structure of human dipeptidyl peptidase IV (DPPIV) with pyrrolidine-constrained phenethylamine 29g
Descriptor: (3R,4S)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PYRROLIDIN-3-AMINE, Dipeptidyl peptidase 4
Authors:Backes, B.J, Longenecker, K.L, Hamilton, G.L, Stewart, K.D, Lai, C, Kopecka, H.
Deposit date:2006-12-15
Release date:2007-09-11
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Pyrrolidine-constrained phenethylamines: The design of potent, selective, and pharmacologically efficacious dipeptidyl peptidase IV (DPP4) inhibitors from a lead-like screening hit.
Bioorg.Med.Chem.Lett., 17, 2007
2OQI
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BU of 2oqi by Molmil
Human Dipeptidyl Peptidase IV (DPP4) with Piperidinone-constrained phenethylamine
Descriptor: (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE, Dipeptidyl peptidase 4 (Dipeptidyl peptidase IV) (DPP IV) (T-cell activation antigen CD26) (TP103) (Adenosine deaminase complexing protein 2) (ADABP)
Authors:Pei, Z, Li, X, von Geldern, T.W, Longenecker, K.L, Pireh, D, Stewart, K.D, Backes, B.J, Lai, C, Lubben, T.H, Ballaron, S.J, Beno, D.W, Kempf-Grote, A.J, Sham, H.L, Trevillyan, J.M.
Deposit date:2007-01-31
Release date:2007-04-03
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery and Structure-Activity Relationships of Piperidinone- and Piperidine-Constrained Phenethylamines as Novel, Potent, and Selective Dipeptidyl Peptidase IV Inhibitors.
J.Med.Chem., 50, 2007
2V5P
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BU of 2v5p by Molmil
COMPLEX STRUCTURE OF HUMAN IGF2R DOMAINS 11-13 BOUND TO IGF-II
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR, INSULIN-LIKE GROWTH FACTOR II, ...
Authors:Brown, J, Delaine, C, Zaccheo, O.J, Siebold, C, Gilbert, R.J, van Boxel, G, Denley, A, Wallace, J.C, Hassan, A.B, Forbes, B.E, Jones, E.Y.
Deposit date:2007-07-06
Release date:2007-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (4.1 Å)
Cite:Structure and Functional Analysis of the Igf-II/Igf2R Interaction
Embo J., 27, 2008
2V5N
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BU of 2v5n by Molmil
STRUCTURE OF HUMAN IGF2R DOMAINS 11-12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR
Authors:Brown, J, Delaine, C, Zaccheo, O.J, Siebold, C, Gilbert, R.J, van Boxel, G, Denley, A, Wallace, J.C, Hassan, A.B, Forbes, B.E, Jones, E.Y.
Deposit date:2007-07-06
Release date:2007-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure and Functional Analysis of the Igf-II/Igf2R Interaction
Embo J., 27, 2008
6G1H
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BU of 6g1h by Molmil
Amine Dehydrogenase from Petrotoga mobilis; open form
Descriptor: 1,2-ETHANEDIOL, Dihydrodipicolinate reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Beloti, L, Frese, A, Mayol, O, Vergne-Vaxelaire, C, Grogan, G.
Deposit date:2018-03-21
Release date:2019-03-27
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:A family of native amine dehydrogenases for the asymmetric reductive amination of ketones
Nat Catal, 2019
2V5O
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BU of 2v5o by Molmil
STRUCTURE OF HUMAN IGF2R DOMAINS 11-14
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CATION-INDEPENDENT MANNOSE-6-PHOSPHATE RECEPTOR, CHLORIDE ION
Authors:Brown, J, Delaine, C, Zaccheo, O.J, Siebold, C, Gilbert, R.J, van Boxel, G, Denley, A, Wallace, J.C, Hassan, A.B, Forbes, B.E, Jones, E.Y.
Deposit date:2007-07-06
Release date:2007-12-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.91 Å)
Cite:Structure and Functional Analysis of the Igf-II/Igf2R Interaction
Embo J., 27, 2008
7ZBO
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BU of 7zbo by Molmil
Amine Dehydrogenase MATOUAmDH2 in complex with NADP+
Descriptor: Amine Dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bennett, M, Ducrot, L, Vergne-Vaxelaire, C, Grogan, G.
Deposit date:2022-03-24
Release date:2022-04-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structure and Mutation of the Native Amine Dehydrogenase MATOUAmDH2.
Chembiochem, 23, 2022
7MQS
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BU of 7mqs by Molmil
The insulin receptor ectodomain in complex with three venom hybrid insulin molecules - asymmetric conformation
Descriptor: Insulin A chain, Insulin B chain, Isoform Short of Insulin receptor
Authors:Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C.
Deposit date:2021-05-06
Release date:2022-03-16
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Symmetric and asymmetric receptor conformation continuum induced by a new insulin.
Nat.Chem.Biol., 18, 2022
7MQO
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BU of 7mqo by Molmil
The insulin receptor ectodomain in complex with a venom hybrid insulin analog - "head" region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, ...
Authors:Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C.
Deposit date:2021-05-06
Release date:2022-03-16
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Symmetric and asymmetric receptor conformation continuum induced by a new insulin.
Nat.Chem.Biol., 18, 2022
7MQR
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BU of 7mqr by Molmil
The insulin receptor ectodomain in complex with four venom hybrid insulins - symmetric conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
Authors:Blakely, A.D, Xiong, X, Kim, J.H, Menting, J, Schafer, I.B, Schubert, H.L, Agrawal, R, Gutmann, T, Delaine, C, Zhang, Y, Artik, G.O, Merriman, A, Eckert, D, Lawrence, M.C, Coskun, U, Fisher, S.J, Forbes, B.E, Safavi-Hemami, H, Hill, C.P, Chou, D.H.C.
Deposit date:2021-05-06
Release date:2022-03-16
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Symmetric and asymmetric receptor conformation continuum induced by a new insulin.
Nat.Chem.Biol., 18, 2022
6ZP8
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BU of 6zp8 by Molmil
Yeast 20S proteasome in complex with glidobactin-like natural product HB335
Descriptor: (2~{S},3~{R})-~{N}-[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]-3-oxidanyl-2-(3-phenylpropanoylamino)butanamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B.
Deposit date:2020-07-08
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3 Å)
Cite:Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii.
Chembiochem, 22, 2021
6ZP6
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BU of 6zp6 by Molmil
Yeast 20S proteasome in complex with glidobactin-like natural product HB334
Descriptor: CHLORIDE ION, MAGNESIUM ION, Probable proteasome subunit alpha type-7, ...
Authors:Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B.
Deposit date:2020-07-08
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii.
Chembiochem, 22, 2021
6ZOU
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BU of 6zou by Molmil
Yeast 20S proteasome in complex with glidobactin-like natural product HB333
Descriptor: 11-methyl-~{N}-[(2~{S},3~{R})-1-[[(5~{S},8~{S},10~{S})-5-methyl-10-oxidanyl-2,7-bis(oxidanylidene)-1,6-diazacyclododec-8-yl]amino]-3-oxidanyl-1-oxidanylidene-butan-2-yl]dodecanamide, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Zhao, L, Le Chapelain, C, Brachmann, A.O, Kaiser, M, Groll, M, Bode, H.B.
Deposit date:2020-07-07
Release date:2021-05-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Activation, Structure, Biosynthesis and Bioactivity of Glidobactin-like Proteasome Inhibitors from Photorhabdus laumondii.
Chembiochem, 22, 2021
3PMD
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BU of 3pmd by Molmil
Crystal structure of the sporulation inhibitor pXO1-118 from Bacillus anthracis
Descriptor: CHLORIDE ION, Conserved domain protein, UNDECANOIC ACID
Authors:Stranzl, G.R, Santelli, E, Bankston, L.A, La Clair, C, Bobkov, A, Schwarzenbacher, R, Godzik, A, Perego, M, Grynberg, M, Liddington, R.C.
Deposit date:2010-11-16
Release date:2011-01-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structural Insights into Inhibition of Bacillus anthracis Sporulation by a Novel Class of Non-heme Globin Sensor Domains.
J.Biol.Chem., 286, 2011
3PMC
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BU of 3pmc by Molmil
Crystal structure of the sporulation inhibitor pXO2-61 from Bacillus anthracis
Descriptor: CHLORIDE ION, IODIDE ION, Uncharacterized protein pXO2-61/BXB0075/GBAA_pXO2_0075
Authors:Stranzl, G.R, Santelli, E, Bankston, L.A, La Clair, C, Bobkov, A, Schwarzenbacher, R, Godzik, A, Perego, M, Grynberg, M, Liddington, R.C.
Deposit date:2010-11-16
Release date:2011-01-19
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural Insights into Inhibition of Bacillus anthracis Sporulation by a Novel Class of Non-heme Globin Sensor Domains.
J.Biol.Chem., 286, 2011
2FIE
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BU of 2fie by Molmil
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitors
Descriptor: 2,5-DICHLORO-N-[5-METHOXY-7-(6-METHOXYPYRIDIN-3-YL)-1,3-BENZOXAZOL-2-YL]BENZENESULFONAMIDE, Fructose-1,6-bisphosphatase 1
Authors:Abad-Zapatero, C.
Deposit date:2005-12-29
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
2FIX
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BU of 2fix by Molmil
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitiors
Descriptor: Fructose-1,6-bisphosphatase 1, N-[7-(3-AMINOPHENYL)-5-METHOXY-1,3-BENZOXAZOL-2-YL]-2,5-DICHLOROBENZENESULFONAMIDE
Authors:Abad-Zapatero, C.
Deposit date:2005-12-30
Release date:2006-02-21
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Benzoxazole benzenesulfonamides as allosteric inhibitors of fructose-1,6-bisphosphatase.
Bioorg.Med.Chem.Lett., 16, 2006
7TJP
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BU of 7tjp by Molmil
HIV-1 gp120 complex with CJF-II-195
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glycoprotein 120, IMIDAZOLE, ...
Authors:Gong, Z, Hendrickson, W.A.
Deposit date:2022-01-16
Release date:2023-01-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.77 Å)
Cite:Structural and Functional Characterization of Indane-Core CD4-Mimetic Compounds Substituted with Heterocyclic Amines
Acs Medicinal Chemistry Letters, 14, 2023

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