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2ZDA
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BU of 2zda by Molmil
Exploring Thrombin S1 pocket
分子名称: D-phenylalanyl-N-{4-[amino(iminio)methyl]benzyl}-L-prolinamide, Hirudin variant-1, PHOSPHATE ION, ...
著者Baum, B, Heine, A, Klebe, G.
登録日2007-11-21
公開日2008-10-28
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Think twice: understanding the high potency of bis(phenyl)methane inhibitors of thrombin
J.Mol.Biol., 391, 2009
2ZDO
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BU of 2zdo by Molmil
Crystal structure of IsdG-N7A in complex with hemin
分子名称: Heme-degrading monooxygenase isdG, PROTOPORPHYRIN IX CONTAINING FE
著者Lee, W.C, Reniere, M.L, Skaar, E.P, Murphy, M.E.P.
登録日2007-11-27
公開日2008-08-19
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Ruffling of Metalloporphyrins Bound to IsdG and IsdI, Two Heme-degrading Enzymes in Staphylococcus aureus
J.Biol.Chem., 283, 2008
5BON
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BU of 5bon by Molmil
Crystal structure of human Nudt15 (MTH2)
分子名称: MAGNESIUM ION, Probable 8-oxo-dGTP diphosphatase NUDT15
著者Carter, M, Jemth, A.-S, Helleday, T, Stenmark, P.
登録日2015-05-27
公開日2015-08-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.799 Å)
主引用文献Crystal structure, biochemical and cellular activities demonstrate separate functions of MTH1 and MTH2.
Nat Commun, 6, 2015
7O9C
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BU of 7o9c by Molmil
diNi-sulerythrin treated by hydrogen perxoide
分子名称: CHLORIDE ION, NICKEL (II) ION, Sulerythrin
著者Jeoung, J.-H, Dobbek, H.
登録日2021-04-15
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
5XB1
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BU of 5xb1 by Molmil
human ferritin mutant - E-helix deletion
分子名称: Ferritin heavy chain
著者Lee, S.G, Ahn, B.J, Jeong, H, Kim, H, Hyun, J, Jung, Y.
登録日2017-03-15
公開日2018-02-21
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Four-fold Channel-Nicked Human Ferritin Nanocages for Active Drug Loading and pH-Responsive Drug Release
Angew. Chem. Int. Ed. Engl., 57, 2018
2ZAV
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BU of 2zav by Molmil
Arginase I (homo sapiens): native and unliganded structure at 1.70 A resolution
分子名称: Arginase-1, MANGANESE (II) ION
著者Di Costanzo, L, Christianson, D.W.
登録日2007-10-11
公開日2007-10-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
7O99
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BU of 7o99 by Molmil
diMn-sulerythrin
分子名称: CHLORIDE ION, COBALT (II) ION, Sulerythrin
著者Jeoung, J.-H, Dobbek, H.
登録日2021-04-15
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
7O91
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BU of 7o91 by Molmil
diMn-sulerythrin
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MANGANESE (II) ION, ...
著者Jeoung, J.-H, Dobbek, H.
登録日2021-04-15
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
4PIN
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BU of 4pin by Molmil
Ergothioneine-biosynthetic methyltransferase EgtD in complex with N,N-dimethylhistidine
分子名称: Histidine-specific methyltransferase EgtD, N,N-dimethyl-L-histidine, PHOSPHATE ION
著者Vit, A, Seebeck, F.P, Blankenfeldt, W.
登録日2014-05-09
公開日2014-12-03
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Ergothioneine Biosynthetic Methyltransferase EgtD Reveals the Structural Basis of Aromatic Amino Acid Betaine Biosynthesis.
Chembiochem, 16, 2015
2D3A
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BU of 2d3a by Molmil
Crystal Structure of the Maize Glutamine Synthetase complexed with ADP and Methionine sulfoximine Phosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, L-METHIONINE-S-SULFOXIMINE PHOSPHATE, MANGANESE (II) ION, ...
著者Unno, H, Uchida, T, Sugawara, H, Kurisu, G, Sugiyama, T, Yamaya, T, Sakakibara, H, Hase, T, Kusunoki, M.
登録日2005-09-26
公開日2006-07-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献Atomic Structure of Plant Glutamine Synthetase: A KEY ENZYME FOR PLANT PRODUCTIVITY
J.Biol.Chem., 281, 2006
6WXG
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BU of 6wxg by Molmil
Cryo-EM reconstruction of VP5*/VP8* assembly from rhesus rotavirus particles - Reversed conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Intermediate capsid protein VP6, ...
著者Herrmann, T, Harrison, S.C, Jenni, S.
登録日2020-05-10
公開日2021-01-20
最終更新日2021-03-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Functional refolding of the penetration protein on a non-enveloped virus.
Nature, 590, 2021
1PJD
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BU of 1pjd by Molmil
Structure and Topology of a Peptide Segment of the 6th Transmembrane Domain of the Saccharomyces cerevisiae alpha-Factor Receptor in Phospholipid Bilayers
分子名称: Pheromone alpha factor receptor
著者Valentine, K.G, Liu, S.-F, Marassi, F.M, Veglia, G, Nevzorov, A.A, Opella, S.J, Ding, F.-X, Wang, S.-H, Arshava, B, Becker, J.M, Naider, F.
登録日2003-06-02
公開日2003-09-16
最終更新日2024-05-22
実験手法SOLID-STATE NMR
主引用文献Structure and Topology of a Peptide Segment of the 6th Transmembrane Domain of the Saccharomyces cerevisiae alpha-Factor Receptor in Phospholipid Bilayers
Biopolymers, 59, 2001
2N2X
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BU of 2n2x by Molmil
Solution structure of [GlyB24,B27-B29 triazole cross-linked]-insulin analogue at pH 1.9
分子名称: Insulin A chain, Insulin B chain
著者Veverka, V, Hexnerova, R, Jiracek, J.
登録日2015-05-15
公開日2016-02-03
最終更新日2023-12-27
実験手法SOLUTION NMR
主引用文献Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
7O9E
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BU of 7o9e by Molmil
diNi-sulerythrin
分子名称: CHLORIDE ION, NICKEL (II) ION, Sulerythrin
著者Jeoung, J.-H, Dobbek, H.
登録日2021-04-15
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
6WJ2
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BU of 6wj2 by Molmil
CryoEM structure of the SLC38A9-RagA-RagC-Ragulator complex in the pre-GAP state
分子名称: 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-L-arabinofuranosyl}-3,9-dihydro-1H-purine-2,6-dione, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Fromm, S.A, Hurley, J.H.
登録日2020-04-11
公開日2020-09-02
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural mechanism for amino acid-dependent Rag GTPase nucleotide state switching by SLC38A9.
Nat.Struct.Mol.Biol., 27, 2020
5BPM
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BU of 5bpm by Molmil
Crystal structure of unhydrolyzed ATP bound human Hsp70 NBD double mutant E268Q+R272K.
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, Heat shock 70 kDa protein 1A, ...
著者Narayanan, D, Engh, R.A.
登録日2015-05-28
公開日2016-09-14
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Nucleotide binding to variants of the HSP70-NBD.
To Be Published
4Y2Q
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BU of 4y2q by Molmil
Structure of soluble epoxide hydrolase in complex with 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine
分子名称: 1-[3-(trifluoromethyl)pyridin-2-yl]piperazine, Bifunctional epoxide hydrolase 2, MAGNESIUM ION
著者Amano, Y, Yamaguchi, T.
登録日2015-02-10
公開日2015-05-06
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Identification of N-ethylmethylamine as a novel scaffold for inhibitors of soluble epoxide hydrolase by crystallographic fragment screening
Bioorg.Med.Chem., 23, 2015
7O8A
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BU of 7o8a by Molmil
diFe-sulerythrin reduced with Na-dithionite
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, FE (III) ION, ...
著者Jeoung, J.-H, Dobbek, H.
登録日2021-04-15
公開日2021-12-01
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Bimetallic Mn, Fe, Co, and Ni Sites in a Four-Helix Bundle Protein: Metal Binding, Structure, and Peroxide Activation.
Inorg.Chem., 60, 2021
5EQH
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BU of 5eqh by Molmil
Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide
分子名称: (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1
著者Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M.
登録日2015-11-12
公開日2016-04-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides.
Proc.Natl.Acad.Sci.USA, 113, 2016
4Y35
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BU of 4y35 by Molmil
Endothiapepsin in complex with fragment 290
分子名称: 4-chlorobenzyl carbamimidothioate, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Wang, X, Heine, A, Klebe, G.
登録日2015-02-10
公開日2016-03-02
実験手法X-RAY DIFFRACTION (1.457 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
2ZG7
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BU of 2zg7 by Molmil
Crystal Structure of Pd(allyl)/apo-Fr
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ...
著者Abe, S, Niemeyer, J, Abe, M, Ueno, T, Hikage, T, Erker, G, Watanabe, Y.
登録日2008-01-18
公開日2008-08-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Control of the coordination structure of organometallic palladium complexes in an apo-ferritin cage.
J.Am.Chem.Soc., 130, 2008
2X06
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BU of 2x06 by Molmil
SULFOLACTATE DEHYDROGENASE FROM METHANOCALDOCOCCUS JANNASCHII
分子名称: L-SULFOLACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Irimia, A, Madern, D, Zaccai, G, Vellieux, F.M.D.
登録日2009-12-07
公開日2009-12-15
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Methanoarchaeal Sulfolactate Dehydrogenase: Prototype of a New Family of Nadh-Dependent Enzymes.
Embo J., 23, 2004
2D3C
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BU of 2d3c by Molmil
Crystal Structure of the Maize Glutamine Synthetase complexed with ADP and Phosphinothricin Phosphate
分子名称: (2S)-2-AMINO-4-[METHYL(PHOSPHONOOXY)PHOSPHORYL]BUTANOIC ACID, ADENOSINE-5'-DIPHOSPHATE, MANGANESE (II) ION, ...
著者Unno, H, Uchida, T, Sugawara, H, Kurisu, G, Sugiyama, T, Yamaya, T, Sakakibara, H, Hase, T, Kusunoki, M.
登録日2005-09-26
公開日2006-07-18
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (3.81 Å)
主引用文献Atomic Structure of Plant Glutamine Synthetase: A KEY ENZYME FOR PLANT PRODUCTIVITY
J.Biol.Chem., 281, 2006
5EPI
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BU of 5epi by Molmil
CRYSTAL STRUCTURE OF INFLUENZA B POLYMERASE WITH BOUND 5' CRNA EXHIBITS A NOVEL DOMAIN ARRANGEMENT
分子名称: CRNA 5' END, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Guilligay, D, Cusack, S.
登録日2015-11-11
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (4.1 Å)
主引用文献Influenza Polymerase Can Adopt an Alternative Configuration Involving a Radical Repacking of PB2 Domains.
Mol.Cell, 61, 2016
6WK3
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BU of 6wk3 by Molmil
Engineered carbene transferase RmaNOD Q52V, putative nitric oxide dioxygenase from Rhodothermus marinus
分子名称: ACETATE ION, COPPER (II) ION, Nitric oxide dioxygenase, ...
著者Knight, A.M, Arnold, F.H.
登録日2020-04-15
公開日2020-07-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Diversity-Oriented Enzymatic Synthesis of Cyclopropane Building Blocks.
Acs Catalysis, 10, 2020

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