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2PHA
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BU of 2pha by Molmil
Crystal structure of native, unliganded human arginase at 1.90 resolution
Descriptor: Arginase-1, MANGANESE (II) ION
Authors:Di Costanzo, L, Pique, M.E, Christianson, D.W.
Deposit date:2007-04-10
Release date:2007-05-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human arginase I complexed with thiosemicarbazide reveals an unusual thiocarbonyl mu-sulfide ligand in the binuclear manganese cluster.
J.Am.Chem.Soc., 129, 2007
3BUV
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BU of 3buv by Molmil
Crystal structure of human Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and HEPES. Resolution: 1.35 A.
Descriptor: 3-oxo-5-beta-steroid 4-dehydrogenase, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W.
Deposit date:2008-01-03
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
2Z6M
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BU of 2z6m by Molmil
Crystal structure of Human Ferritin H8 as biotemplate for noble metal nanoparticle synthesis
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, Ferritin heavy chain, ...
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2007-08-04
Release date:2008-07-22
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Directing noble metal ion chemistry within a designed ferritin protein
Biochemistry, 47, 2008
3BSQ
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BU of 3bsq by Molmil
Crystal structure of human kallikrein 7 produced as a secretion protein in E.coli
Descriptor: Kallikrein-7, SULFATE ION
Authors:Fernandez, I.S, Standker, L, Magert, H.J, Forssmann, W.G, Gimenez-Gallego, G, Romero, A.
Deposit date:2007-12-26
Release date:2008-04-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human epidermal kallikrein 7 (hK7) synthesized directly in its native state in E. coli: insights into the atomic basis of its inhibition by LEKTI domain 6 (LD6)
J.Mol.Biol., 377, 2008
3BUR
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BU of 3bur by Molmil
Crystal structure of Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and TESTOSTERONE. RESOLUTION: 1.62 A.
Descriptor: 3-oxo-5-beta-steroid 4-dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2008-01-03
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
3BV7
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BU of 3bv7 by Molmil
Crystal structure of Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP and glycerol. Resolution: 1.79 A.
Descriptor: 3-oxo-5-beta-steroid 4-dehydrogenase, GLYCEROL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W.
Deposit date:2008-01-04
Release date:2008-04-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
2ZAV
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BU of 2zav by Molmil
Arginase I (homo sapiens): native and unliganded structure at 1.70 A resolution
Descriptor: Arginase-1, MANGANESE (II) ION
Authors:Di Costanzo, L, Christianson, D.W.
Deposit date:2007-10-11
Release date:2007-10-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of human arginase I complexed with thiosemicarbazide reveals an unusual thiocarbonyl mu-sulfide ligand in the binuclear manganese cluster
J.Am.Chem.Soc., 129, 2007
3CYU
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BU of 3cyu by Molmil
Human Carbonic Anhydrase II complexed with Cryptophane biosensor and xenon
Descriptor: Carbonic anhydrase 2, MoMo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-y l)propanoic acid]-cryptophane-A, PoPo-2-[4-(2-(4-(methoxy)-1H-1,2,3-triazol-1-yl)ethyl)benzenesulfonamide]-7,12-bis-[3-(4-(methoxy)-1H-1,2,3-triazol-1-yl)propanoic acid]-cryptophane-A, ...
Authors:Aaron, J.A, Jude, K.M, Di Costanzo, L, Christianson, D.W.
Deposit date:2008-04-26
Release date:2008-05-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of a 129Xe-cryptophane biosensor complexed with human carbonic anhydrase II.
J.Am.Chem.Soc., 130, 2008
3COT
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BU of 3cot by Molmil
Crystal structure of human liver delta(4)-3-ketosteroid 5beta-reductase (akr1d1) in complex with progesterone and nadp. Resolution: 2.03 A.
Descriptor: 3-oxo-5-beta-steroid 4-dehydrogenase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PROGESTERONE
Authors:Di Costanzo, L, Drury, J, Penning, T.M, Christianson, D.W.
Deposit date:2008-03-29
Release date:2008-04-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystal Structure of Human Liver {Delta}4-3-Ketosteroid 5{beta}-Reductase (AKR1D1) and Implications for Substrate Binding and Catalysis.
J.Biol.Chem., 283, 2008
4DYQ
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BU of 4dyq by Molmil
High resolution crystal structure of terminase small subunit gp1 of the bacterial virus sf6
Descriptor: Gene 1 protein
Authors:Zhao, H, Tang, L.
Deposit date:2012-02-29
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Structural and Functional Studies of the Phage Sf6 Terminase Small Subunit Reveal a DNA-Spooling Device Facilitated by Structural Plasticity.
J.Mol.Biol., 423, 2012
4DZJ
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BU of 4dzj by Molmil
Crystal structure of the terminase small subunit gp1 with K59E mutation of the bacterial virus sf6
Descriptor: Gene 1 protein
Authors:Zhao, H, Tang, L.
Deposit date:2012-03-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Studies of the Phage Sf6 Terminase Small Subunit Reveal a DNA-Spooling Device Facilitated by Structural Plasticity.
J.Mol.Biol., 423, 2012
5YT0
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BU of 5yt0 by Molmil
Crystal structure of the complex of archaeal ribosomal stalk protein aP1 and archaeal translation initiation factor aIF5B
Descriptor: Archaeal ribosomal stalk protein aP1, GUANOSINE-5'-DIPHOSPHATE, Probable translation initiation factor IF-2
Authors:Murakami, R, Singh, C.R, Morris, J, Tang, L, Harmon, I, Miyoshi, T, Ito, K, Asano, K, Uchiumi, T.
Deposit date:2017-11-16
Release date:2018-06-27
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:The Interaction between the Ribosomal Stalk Proteins and Translation Initiation Factor 5B Promotes Translation Initiation
Mol. Cell. Biol., 38, 2018
4DYR
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BU of 4dyr by Molmil
Crystal structure of terminase small subunit gp1 of the bacterial virus sf6 with CAPS PH10.5 buffer
Descriptor: Gene 1 protein
Authors:Zhao, H, Tang, L.
Deposit date:2012-02-29
Release date:2012-10-17
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and Functional Studies of the Phage Sf6 Terminase Small Subunit Reveal a DNA-Spooling Device Facilitated by Structural Plasticity.
J.Mol.Biol., 423, 2012
4DZP
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BU of 4dzp by Molmil
Crystal structure of the terminase small subunit gp1 with R48A mutation of the bacterial virus sf6
Descriptor: Gene 1 protein
Authors:Zhao, H, Tang, L.
Deposit date:2012-03-01
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Studies of the Phage Sf6 Terminase Small Subunit Reveal a DNA-Spooling Device Facilitated by Structural Plasticity.
J.Mol.Biol., 423, 2012
4DYC
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BU of 4dyc by Molmil
Crystal Structure of the terminase small subunit gp1 with D19R mutation of the bacterial virus sf6
Descriptor: Terminase small subunit
Authors:Zhao, H, Tang, L.
Deposit date:2012-02-28
Release date:2012-10-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Functional Studies of the Phage Sf6 Terminase Small Subunit Reveal a DNA-Spooling Device Facilitated by Structural Plasticity.
J.Mol.Biol., 423, 2012
4LMQ
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BU of 4lmq by Molmil
Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12
Descriptor: Stromal cell-derived factor 1, hu30D8 Fab heavy chain, hu30D8 Fab light chain
Authors:Zhong, Z, Wang, J, Li, B, Xiang, H, Ultsch, M, Coons, M, Wong, T, Chiang, N.Y, Clark, S, Clark, R, Quintana, L, Gribling, P, Suto, E, Barck, K, Corpuz, R, Yao, J, Takkar, R, Lee, W.P, Damico-Beyer, L.A, Carano, R.D, Adams, C, Kelley, R.F, Wang, W, Ferrara, N.
Deposit date:2013-07-10
Release date:2013-08-14
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2.773 Å)
Cite:Development and Preclinical Characterization of a Humanized Antibody Targeting CXCL12.
Clin.Cancer Res., 19, 2013
4KW3
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BU of 4kw3 by Molmil
Crystal structure of the non-structural protein 1 N-terminal origin-recognition/nickase domain from the emerging human bocavirus
Descriptor: NS1
Authors:Tewary, S.K, Zhao, H, Tang, L.
Deposit date:2013-05-23
Release date:2013-09-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of the NS1 Protein N-Terminal Origin Recognition/Nickase Domain from the Emerging Human Bocavirus.
J.Virol., 87, 2013
5J7S
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BU of 5j7s by Molmil
Crystal structure of SM1-71 bound to TAK1-TAB1
Descriptor: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}propanamide
Authors:Gurbani, D, Westover, K.D.
Deposit date:2016-04-06
Release date:2017-02-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.368 Å)
Cite:Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
5J9L
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BU of 5j9l by Molmil
Crystal structure of CPT1691 bound to TAK1-TAB1
Descriptor: Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide
Authors:Gurbani, D, Westover, K.D.
Deposit date:2016-04-10
Release date:2017-02-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.7515 Å)
Cite:Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
5J8I
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BU of 5j8i by Molmil
Crystal structure of TL11-113 bound to TAK1-TAB1
Descriptor: Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Authors:Gurbani, D, Westover, K.D.
Deposit date:2016-04-07
Release date:2017-02-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
5JH6
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BU of 5jh6 by Molmil
Crystal structure of TL10-92 bound to TAK1-TAB1
Descriptor: 2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl prop-2-enoate, Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Authors:Gurbani, D, Westover, K.D.
Deposit date:2016-04-20
Release date:2017-02-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.365 Å)
Cite:Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
5JK3
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BU of 5jk3 by Molmil
Crystal structure of TL11-128 bound to TAK1-TAB1
Descriptor: Mitogen-activated protein kinase kinase kinase 7,TGF-beta-activated kinase 1 and MAP3K7-binding protein 1, ~{N}-[2-[5-chloranyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Authors:Gurbani, D, Westover, K.D.
Deposit date:2016-04-25
Release date:2017-02-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.371 Å)
Cite:Structure-guided development of covalent TAK1 inhibitors.
Bioorg. Med. Chem., 25, 2017
4R5S
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BU of 4r5s by Molmil
Crystal structure of EGFR 696-1022 L858R in complex with FIIN-3
Descriptor: Epidermal growth factor receptor, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
Authors:Zhu, S.J, Yun, C.H.
Deposit date:2014-08-22
Release date:2014-11-12
Last modified:2022-08-24
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4QQC
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BU of 4qqc by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Domain in Complex with FIIN-2, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR Kinase Gate-Keeper Mutations
Descriptor: Fibroblast growth factor receptor 4, N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl]methyl}phenyl)propanamide, SULFATE ION
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-06-27
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014
4R6V
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BU of 4r6v by Molmil
Crystal Structure of FGF Receptor (FGFR) 4 Kinase Harboring the V550L Gate-Keeper Mutation in Complex with FIIN-3, an Irreversible Tyrosine Kinase Inhibitor Capable of Overcoming FGFR kinase Gate-Keeper Mutations
Descriptor: Fibroblast growth factor receptor 4, N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide, SULFATE ION
Authors:Huang, Z, Mohammadi, M.
Deposit date:2014-08-26
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Development of covalent inhibitors that can overcome resistance to first-generation FGFR kinase inhibitors.
Proc.Natl.Acad.Sci.USA, 111, 2014

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